5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine

C39H43ClN6S2 — CID 144794189

IUPAC5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine
SMILESC=Cc1ccccc1-c1ncccc1-c1cnc(NCCC)s1.CC.CCCNc1ncc(-c2ccc(C)nc2-c2ccccc2Cl)s1
InChIInChI=1S/C19H19N3S.C18H18ClN3S.C2H6/c1-3-11-21-19-22-13-17(23-19)16-10-7-12-20-18(16)15-9-6-5-8-14(15)4-2;1-3-10-20-18-21-11-16(23-18)14-9-8-12(2)22-17(14)13-6-4-5-7-15(13)19;1-2/h4-10,12-13H,2-3,11H2,1H3,(H,21,22);4-9,11H,3,10H2,1-2H3,(H,20,21);1-2H3
InChIKeyOYPVAJDSQKDNRX-UHFFFAOYSA-N
MW695.40 g/mol
LogP12.02
Rot. Bonds11

About 5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine

5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 144794189) has the molecular formula C39H43ClN6S2 and a molecular weight of 695.40 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID144794189
Molecular FormulaC39H43ClN6S2
Molecular Weight695.40 g/mol
Exact Mass694.27
IUPAC Name5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine
SMILESC=Cc1ccccc1-c1ncccc1-c1cnc(NCCC)s1.CC.CCCNc1ncc(-c2ccc(C)nc2-c2ccccc2Cl)s1
InChIInChI=1S/C19H19N3S.C18H18ClN3S.C2H6/c1-3-11-21-19-22-13-17(23-19)16-10-7-12-20-18(16)15-9-6-5-8-14(15)4-2;1-3-10-20-18-21-11-16(23-18)14-9-8-12(2)22-17(14)13-6-4-5-7-15(13)19;1-2/h4-10,12-13H,2-3,11H2,1H3,(H,21,22);4-9,11H,3,10H2,1-2H3,(H,20,21);1-2H3
InChIKeyOYPVAJDSQKDNRX-UHFFFAOYSA-N
XLogP12.02
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.40
LogP ≤ 512.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-[2-ethenyl-3-[3-[2-(propylamino)-1,3-thiazol-5-yl]-2-pyridinyl]phenyl]-N-propyl-1,3-thiazol-3-ium-2-amine
CID 123596511
5-[3-(2-chlorophenyl)-1-methylpyridin-1-ium-4-yl]-N-propyl-1,3-thiazol-2-amine
CID 144794166
5-(2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116811958
5-[2-(2,3-dimethylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(2-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine
CID 144794172
5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812124
(E)-4-(2-chlorophenyl)but-3-enal;5-methyl-N-propyl-1,3-thiazol-2-amine
CID 143274209
N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine
CID 116812140
5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine
CID 116811986
5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812125
3-[3-[3-[2-(ethylamino)-1,3-thiazol-5-yl]-2-pyridinyl]-2-methylphenyl]-5-[2-(4-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-3-ium-2-amine
CID 123314834
5-[(2-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79775075
5-(2-chlorophenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 18506841

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine (CID 144794189) is 5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine is C=Cc1ccccc1-c1ncccc1-c1cnc(NCCC)s1.CC.CCCNc1ncc(-c2ccc(C)nc2-c2ccccc2Cl)s1.
What is the InChIKey of 5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is OYPVAJDSQKDNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S.C18H18ClN3S.C2H6/c1-3-11-21-19-22-13-17(23-19)16-10-7-12-20-18(16)15-9-6-5-8-14(15)4-2;1-3-10-20-18-21-11-16(23-18)14-9-8-12(2)22-17(14)13-6-4-5-7-15(13)19;1-2/h4-10,12-13H,2-3,11H2,1H3,(H,21,22);4-9,11H,3,10H2,1-2H3,(H,20,21);1-2H3.
What are the key properties of 5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine?
5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 695.40 g/mol, XLogP of 12.02, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;ethane;5-[2-(2-ethenylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 144794189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).