3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide

C18H15ClN4OS — CID 75538332

IUPAC3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1cccc2sc(NC(=O)CCn3ncc4ccc(Cl)cc43)nc12
InChIInChI=1S/C18H15ClN4OS/c1-11-3-2-4-15-17(11)22-18(25-15)21-16(24)7-8-23-14-9-13(19)6-5-12(14)10-20-23/h2-6,9-10H,7-8H2,1H3,(H,21,22,24)
InChIKeyWVYGLCLUTQDBJQ-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.64
Rot. Bonds4

About 3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide

3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 75538332) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID75538332
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1cccc2sc(NC(=O)CCn3ncc4ccc(Cl)cc43)nc12
InChIInChI=1S/C18H15ClN4OS/c1-11-3-2-4-15-17(11)22-18(25-15)21-16(24)7-8-23-14-9-13(19)6-5-12(14)10-20-23/h2-6,9-10H,7-8H2,1H3,(H,21,22,24)
InChIKeyWVYGLCLUTQDBJQ-UHFFFAOYSA-N
XLogP4.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
4-(4-chlorophenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 19218842
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108794823
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 18135694
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 16882668
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 16882084
1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide
CID 9192872
3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108795390
N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135650088
3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091957

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide (CID 75538332) is 3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide is Cc1cccc2sc(NC(=O)CCn3ncc4ccc(Cl)cc43)nc12.
What is the InChIKey of 3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is WVYGLCLUTQDBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-11-3-2-4-15-17(11)22-18(25-15)21-16(24)7-8-23-14-9-13(19)6-5-12(14)10-20-23/h2-6,9-10H,7-8H2,1H3,(H,21,22,24).
What are the key properties of 3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 370.87 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 75538332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).