2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C15H20ClN3S2 — CID 107125227

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCNC1CC(C)(C)Cc2nc(-c3ncc(Cl)s3)sc21
InChIInChI=1S/C15H20ClN3S2/c1-4-5-17-9-6-15(2,3)7-10-12(9)21-14(19-10)13-18-8-11(16)20-13/h8-9,17H,4-7H2,1-3H3
InChIKeyOIPSYFXHFVYCLR-UHFFFAOYSA-N
MW341.93 g/mol
LogP4.93
Rot. Bonds4

About 2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 107125227) has the molecular formula C15H20ClN3S2 and a molecular weight of 341.93 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID107125227
Molecular FormulaC15H20ClN3S2
Molecular Weight341.93 g/mol
Exact Mass341.08
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCNC1CC(C)(C)Cc2nc(-c3ncc(Cl)s3)sc21
InChIInChI=1S/C15H20ClN3S2/c1-4-5-17-9-6-15(2,3)7-10-12(9)21-14(19-10)13-18-8-11(16)20-13/h8-9,17H,4-7H2,1-3H3
InChIKeyOIPSYFXHFVYCLR-UHFFFAOYSA-N
XLogP4.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.93
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

2-(3-bromothiophen-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115381089
2-(5-chlorothiophen-2-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091852
2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 106815126
5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62312573
2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116502754
5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62749868
2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 63447008
2-N,2-N-diethyl-7,7-dimethyl-5-N-propyl-6,8-dihydro-5H-quinazoline-2,5-diamine
CID 62010103
2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 79411678
2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090255
N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 55032902
2-(6-methyl-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 104823158

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 107125227) is 2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCCNC1CC(C)(C)Cc2nc(-c3ncc(Cl)s3)sc21.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is OIPSYFXHFVYCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S2/c1-4-5-17-9-6-15(2,3)7-10-12(9)21-14(19-10)13-18-8-11(16)20-13/h8-9,17H,4-7H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 341.93 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 107125227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).