N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C14H18N4OS — CID 61274604

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)C1CSCN1
InChIInChI=1S/C14H18N4OS/c1-10-17-11-4-2-3-5-13(11)18(10)7-6-15-14(19)12-8-20-9-16-12/h2-5,12,16H,6-9H2,1H3,(H,15,19)
InChIKeyLDUGAYMXPJVZMA-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.12
Rot. Bonds4

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 61274604) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID61274604
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)C1CSCN1
InChIInChI=1S/C14H18N4OS/c1-10-17-11-4-2-3-5-13(11)18(10)7-6-15-14(19)12-8-20-9-16-12/h2-5,12,16H,6-9H2,1H3,(H,15,19)
InChIKeyLDUGAYMXPJVZMA-UHFFFAOYSA-N
XLogP1.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741853
N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741002
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119835395
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119866268
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119866267
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide
CID 66235655
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74648805
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide
CID 97074619
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 18120735

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 61274604) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide is Cc1nc2ccccc2n1CCNC(=O)C1CSCN1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is LDUGAYMXPJVZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-17-11-4-2-3-5-13(11)18(10)7-6-15-14(19)12-8-20-9-16-12/h2-5,12,16H,6-9H2,1H3,(H,15,19).
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61274604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).