N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C19H17N5OS — CID 18124194

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H17N5OS/c1-11-16(26-19(22-11)15-9-5-6-10-20-15)18(25)21-12(2)17-23-13-7-3-4-8-14(13)24-17/h3-10,12H,1-2H3,(H,21,25)(H,23,24)
InChIKeyAVNLDVANWHQKCI-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.88
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 18124194) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID18124194
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H17N5OS/c1-11-16(26-19(22-11)15-9-5-6-10-20-15)18(25)21-12(2)17-23-13-7-3-4-8-14(13)24-17/h3-10,12H,1-2H3,(H,21,25)(H,23,24)
InChIKeyAVNLDVANWHQKCI-UHFFFAOYSA-N
XLogP3.88
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 25347911
4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 51950170
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134053732
N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide
CID 110468003
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 18270178
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 94588634
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55826865
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26953998
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79937377
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 18124194) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is AVNLDVANWHQKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-11-16(26-19(22-11)15-9-5-6-10-20-15)18(25)21-12(2)17-23-13-7-3-4-8-14(13)24-17/h3-10,12H,1-2H3,(H,21,25)(H,23,24).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18124194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).