ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine

C38H44N6OS2 — CID 144794194

IUPACethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine
SMILESCC.CCCNc1ncc(-c2cccnc2-c2ccc(C)cc2)s1.CCCNc1ncc(-c2cccnc2-c2ccccc2OC)s1
InChIInChI=1S/C18H19N3OS.C18H19N3S.C2H6/c1-3-10-20-18-21-12-16(23-18)14-8-6-11-19-17(14)13-7-4-5-9-15(13)22-2;1-3-10-20-18-21-12-16(22-18)15-5-4-11-19-17(15)14-8-6-13(2)7-9-14;1-2/h4-9,11-12H,3,10H2,1-2H3,(H,20,21);4-9,11-12H,3,10H2,1-2H3,(H,20,21);1-2H3
InChIKeyGDSIGYVNZKEFIS-UHFFFAOYSA-N
MW664.95 g/mol
LogP10.73
Rot. Bonds11

About ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine

ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 144794194) has the molecular formula C38H44N6OS2 and a molecular weight of 664.95 g/mol. Its IUPAC name is ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID144794194
Molecular FormulaC38H44N6OS2
Molecular Weight664.95 g/mol
Exact Mass664.30
IUPAC Nameethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine
SMILESCC.CCCNc1ncc(-c2cccnc2-c2ccc(C)cc2)s1.CCCNc1ncc(-c2cccnc2-c2ccccc2OC)s1
InChIInChI=1S/C18H19N3OS.C18H19N3S.C2H6/c1-3-10-20-18-21-12-16(23-18)14-8-6-11-19-17(14)13-7-4-5-9-15(13)22-2;1-3-10-20-18-21-12-16(22-18)15-5-4-11-19-17(15)14-8-6-13(2)7-9-14;1-2/h4-9,11-12H,3,10H2,1-2H3,(H,20,21);4-9,11-12H,3,10H2,1-2H3,(H,20,21);1-2H3
InChIKeyGDSIGYVNZKEFIS-UHFFFAOYSA-N
XLogP10.73
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.95
LogP ≤ 510.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615459
4-[4-[6-(2-methoxyethoxy)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615460
1-[(2-Methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87406786
4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89427080
N-[4-[(6'-Methyl[3,3'-bipyridin]-2-yl)oxy]phenyl]-2-benzothiazolamine
CID 59326972
N-[4-[(4'-Methoxy[3,3'-bipyridin]-2-yl)oxy]phenyl]-2-benzothiazolamine
CID 59327238
N-[(2-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522329
4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 46943803
5-(6-(2-ethoxyphenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-N-propylthiazol-2-amine
CID 52947470
5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 56680096
5-benzyl-4-(4-methoxyphenyl)-N-(3-pyridylmethyl)thiazol-2-amine
CID 72706939
N-(6-methyl-2-pyridinyl)-4-[4-(2-propan-2-yloxy-4-pyridinyl)phenyl]-1,3-thiazol-2-amine
CID 89423316

Frequently Asked Questions

What is the IUPAC name of ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine (CID 144794194) is ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine is CC.CCCNc1ncc(-c2cccnc2-c2ccc(C)cc2)s1.CCCNc1ncc(-c2cccnc2-c2ccccc2OC)s1.
What is the InChIKey of ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is GDSIGYVNZKEFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS.C18H19N3S.C2H6/c1-3-10-20-18-21-12-16(23-18)14-8-6-11-19-17(14)13-7-4-5-9-15(13)22-2;1-3-10-20-18-21-12-16(22-18)15-5-4-11-19-17(15)14-8-6-13(2)7-9-14;1-2/h4-9,11-12H,3,10H2,1-2H3,(H,20,21);4-9,11-12H,3,10H2,1-2H3,(H,20,21);1-2H3.
What are the key properties of ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine?
ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 664.95 g/mol, XLogP of 10.73, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[2-(2-methoxyphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine;5-[2-(4-methylphenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 144794194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).