(2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide

C15H16N4OS — CID 95293239

IUPAC(2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
SMILESCc1ccc(C)c2sc(NC(=O)[C@H](C)n3ccnc3)nc12
InChIInChI=1S/C15H16N4OS/c1-9-4-5-10(2)13-12(9)17-15(21-13)18-14(20)11(3)19-7-6-16-8-19/h4-8,11H,1-3H3,(H,17,18,20)/t11-/m0/s1
InChIKeyIXUMOPLCLCJBLC-NSHDSACASA-N
MW300.39 g/mol
LogP3.31
Rot. Bonds3

About (2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide

(2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide (PubChem CID 95293239) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is (2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
PubChem CID95293239
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name(2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
SMILESCc1ccc(C)c2sc(NC(=O)[C@H](C)n3ccnc3)nc12
InChIInChI=1S/C15H16N4OS/c1-9-4-5-10(2)13-12(9)17-15(21-13)18-14(20)11(3)19-7-6-16-8-19/h4-8,11H,1-3H3,(H,17,18,20)/t11-/m0/s1
InChIKeyIXUMOPLCLCJBLC-NSHDSACASA-N
XLogP3.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
CID 56825796
(2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
CID 51959491
(2R)-2-acetamido-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 31893063
2-imidazol-1-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 71685846
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
CID 46970083
(2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide
CID 95599262
2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide
CID 56827512
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 9185268
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 43989144
(2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
CID 51583912
(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
CID 51583896

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide?
The IUPAC name of (2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide (CID 95293239) is (2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide is Cc1ccc(C)c2sc(NC(=O)[C@H](C)n3ccnc3)nc12.
What is the InChIKey of (2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide?
The InChIKey is IXUMOPLCLCJBLC-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9-4-5-10(2)13-12(9)17-15(21-13)18-14(20)11(3)19-7-6-16-8-19/h4-8,11H,1-3H3,(H,17,18,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide?
(2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide has a molecular weight of 300.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 95293239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).