N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide

C18H21N5OS — CID 25345513

IUPACN-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
SMILESC[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc4nc[nH]c4c3)n2)C1
InChIInChI=1S/C18H21N5OS/c1-12-3-2-6-23(8-12)9-14-10-25-18(21-14)22-17(24)13-4-5-15-16(7-13)20-11-19-15/h4-5,7,10-12H,2-3,6,8-9H2,1H3,(H,19,20)(H,21,22,24)/t12-/m1/s1
InChIKeyPENNCBAGHWVPBI-GFCCVEGCSA-N
MW355.47 g/mol
LogP3.50
Rot. Bonds4

About N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide

N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 25345513) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
PubChem CID25345513
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
SMILESC[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc4nc[nH]c4c3)n2)C1
InChIInChI=1S/C18H21N5OS/c1-12-3-2-6-23(8-12)9-14-10-25-18(21-14)22-17(24)13-4-5-15-16(7-13)20-11-19-15/h4-5,7,10-12H,2-3,6,8-9H2,1H3,(H,19,20)(H,21,22,24)/t12-/m1/s1
InChIKeyPENNCBAGHWVPBI-GFCCVEGCSA-N
XLogP3.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118
3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680184
2-chloro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]quinoline-6-carboxamide
CID 55823340
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 24586670
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
3-(azepan-1-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680019
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 42929670
4-(1,3-dithian-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 42929667
4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 24586641
4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 46680057
3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 35843294
2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 35844295

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide (CID 25345513) is N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide is C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc4nc[nH]c4c3)n2)C1.
What is the InChIKey of N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is PENNCBAGHWVPBI-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12-3-2-6-23(8-12)9-14-10-25-18(21-14)22-17(24)13-4-5-15-16(7-13)20-11-19-15/h4-5,7,10-12H,2-3,6,8-9H2,1H3,(H,19,20)(H,21,22,24)/t12-/m1/s1.
What are the key properties of N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide?
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 25345513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).