N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide

C17H24N4OS — CID 46970083

IUPACN-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)Nc1nc2c(s1)CC(C(C)(C)C)CC2)n1ccnc1
InChIInChI=1S/C17H24N4OS/c1-11(21-8-7-18-10-21)15(22)20-16-19-13-6-5-12(17(2,3)4)9-14(13)23-16/h7-8,10-12H,5-6,9H2,1-4H3,(H,19,20,22)
InChIKeyBGLJWWMNWRWJGN-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.69
Rot. Bonds3

About N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide

N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide (PubChem CID 46970083) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
PubChem CID46970083
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)Nc1nc2c(s1)CC(C(C)(C)C)CC2)n1ccnc1
InChIInChI=1S/C17H24N4OS/c1-11(21-8-7-18-10-21)15(22)20-16-19-13-6-5-12(17(2,3)4)9-14(13)23-16/h7-8,10-12H,5-6,9H2,1-4H3,(H,19,20,22)
InChIKeyBGLJWWMNWRWJGN-UHFFFAOYSA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide with MolForge

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Related Compounds

(2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
CID 95293239
2-(4-bromophenoxy)-N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 42280047
N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-chlorobenzamide
CID 40773721
(2S,4S)-N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641524
tert-butyl N-[2-[2-[(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylethyl]carbamate
CID 84561067
(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
CID 124512009
N-cyclohexyl-2-imidazol-1-ylpropanamide
CID 46458376
N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide
CID 29203576
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 17011175
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46968294
2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 86768177
2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 51583989

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide?
The IUPAC name of N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide (CID 46970083) is N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide is CC(C(=O)Nc1nc2c(s1)CC(C(C)(C)C)CC2)n1ccnc1.
What is the InChIKey of N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide?
The InChIKey is BGLJWWMNWRWJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-11(21-8-7-18-10-21)15(22)20-16-19-13-6-5-12(17(2,3)4)9-14(13)23-16/h7-8,10-12H,5-6,9H2,1-4H3,(H,19,20,22).
What are the key properties of N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide?
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide has a molecular weight of 332.47 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 46970083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).