N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine

C11H10N4S — CID 141189433

IUPACN-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NCc3ccns3)nc2c1
InChIInChI=1S/C11H10N4S/c1-2-4-10-9(3-1)14-11(15-10)12-7-8-5-6-13-16-8/h1-6H,7H2,(H2,12,14,15)
InChIKeySVPNQFNEATWVIM-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.63
Rot. Bonds3

About N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine

N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine (PubChem CID 141189433) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine
PubChem CID141189433
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC NameN-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NCc3ccns3)nc2c1
InChIInChI=1S/C11H10N4S/c1-2-4-10-9(3-1)14-11(15-10)12-7-8-5-6-13-16-8/h1-6H,7H2,(H2,12,14,15)
InChIKeySVPNQFNEATWVIM-UHFFFAOYSA-N
XLogP2.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106382164
N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine
CID 133411151
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(1H-benzimidazol-2-yl)-1,2-thiazole-5-carboxamide
CID 21452404
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540

Frequently Asked Questions

What is the IUPAC name of N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine (CID 141189433) is N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine is c1ccc2[nH]c(NCc3ccns3)nc2c1.
What is the InChIKey of N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine?
The InChIKey is SVPNQFNEATWVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-2-4-10-9(3-1)14-11(15-10)12-7-8-5-6-13-16-8/h1-6H,7H2,(H2,12,14,15).
What are the key properties of N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine?
N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine has a molecular weight of 230.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 141189433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).