N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide

C19H24N4OS — CID 75490402

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(C(C)C)s1
InChIInChI=1S/C19H24N4OS/c1-10(2)15(18-21-13-8-6-7-9-14(13)22-18)23-19(24)16-17(11(3)4)25-12(5)20-16/h6-11,15H,1-5H3,(H,21,22)(H,23,24)/t15-/m0/s1
InChIKeyCZDLRURTKMRENO-HNNXBMFYSA-N
MW356.50 g/mol
LogP4.58
Rot. Bonds5

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 75490402) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID75490402
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(C(C)C)s1
InChIInChI=1S/C19H24N4OS/c1-10(2)15(18-21-13-8-6-7-9-14(13)22-18)23-19(24)16-17(11(3)4)25-12(5)20-16/h6-11,15H,1-5H3,(H,21,22)(H,23,24)/t15-/m0/s1
InChIKeyCZDLRURTKMRENO-HNNXBMFYSA-N
XLogP4.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 75490678
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976349
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
CID 51158118
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627
5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120643289
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 75490402) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(C(C)C)s1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CZDLRURTKMRENO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-10(2)15(18-21-13-8-6-7-9-14(13)22-18)23-19(24)16-17(11(3)4)25-12(5)20-16/h6-11,15H,1-5H3,(H,21,22)(H,23,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75490402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).