4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one

C11H10N4OS — CID 106382164

IUPAC4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C11H10N4OS/c16-11-13-7(6-17-11)5-12-10-14-8-3-1-2-4-9(8)15-10/h1-4,6H,5H2,(H,13,16)(H2,12,14,15)
InChIKeyRTMGQMFXLDWLBB-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.92
Rot. Bonds3

About 4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382164) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106382164
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C11H10N4OS/c16-11-13-7(6-17-11)5-12-10-14-8-3-1-2-4-9(8)15-10/h1-4,6H,5H2,(H,13,16)(H2,12,14,15)
InChIKeyRTMGQMFXLDWLBB-UHFFFAOYSA-N
XLogP1.92
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181570
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile
CID 106381406
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 141189433
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 83326035
N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
(1H-benzimidazol-2-ylamino)methylphosphonic acid
CID 57013853
N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine
CID 115865665
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106382164) is 4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNc2nc3ccccc3[nH]2)cs1.
What is the InChIKey of 4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is RTMGQMFXLDWLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c16-11-13-7(6-17-11)5-12-10-14-8-3-1-2-4-9(8)15-10/h1-4,6H,5H2,(H,13,16)(H2,12,14,15).
What are the key properties of 4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 246.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).