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

C14H18N4OS — CID 110741853

IUPACN-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCn1c(CCNC(=O)C2CSCN2)nc2ccccc21
InChIInChI=1S/C14H18N4OS/c1-18-12-5-3-2-4-10(12)17-13(18)6-7-15-14(19)11-8-20-9-16-11/h2-5,11,16H,6-9H2,1H3,(H,15,19)
InChIKeyCSZAKZWBNSSSQN-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.89
Rot. Bonds4

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

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110741853) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110741853
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCn1c(CCNC(=O)C2CSCN2)nc2ccccc21
InChIInChI=1S/C14H18N4OS/c1-18-12-5-3-2-4-10(12)17-13(18)6-7-15-14(19)11-8-20-9-16-11/h2-5,11,16H,6-9H2,1H3,(H,15,19)
InChIKeyCSZAKZWBNSSSQN-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 61274604
(2R,4S)-4-hydroxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-2-carboxamide
CID 124697255
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 136811645
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
4-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 71984927
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119888858
N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741002
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
N-(2-naphthalen-1-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288849
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110796288
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 110741853) is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide is Cn1c(CCNC(=O)C2CSCN2)nc2ccccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is CSZAKZWBNSSSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-18-12-5-3-2-4-10(12)17-13(18)6-7-15-14(19)11-8-20-9-16-11/h2-5,11,16H,6-9H2,1H3,(H,15,19).
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110741853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).