N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide

C14H15N5O2S — CID 131915305

IUPACN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)NCc2nc3ccc(OC)cc3[nH]2)cs1
InChIInChI=1S/C14H15N5O2S/c1-15-14-19-11(7-22-14)13(20)16-6-12-17-9-4-3-8(21-2)5-10(9)18-12/h3-5,7H,6H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyWLPSBSLVIMPSIT-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.00
Rot. Bonds5

About N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 131915305) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID131915305
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC NameN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)NCc2nc3ccc(OC)cc3[nH]2)cs1
InChIInChI=1S/C14H15N5O2S/c1-15-14-19-11(7-22-14)13(20)16-6-12-17-9-4-3-8(21-2)5-10(9)18-12/h3-5,7H,6H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyWLPSBSLVIMPSIT-UHFFFAOYSA-N
XLogP2.00
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide
CID 171100081
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide
CID 71829135
1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70740746
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70738211
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide
CID 72864091
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide
CID 118795023
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 118782033
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698
N-(furan-2-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555623

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 131915305) is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide is CNc1nc(C(=O)NCc2nc3ccc(OC)cc3[nH]2)cs1.
What is the InChIKey of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is WLPSBSLVIMPSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-15-14-19-11(7-22-14)13(20)16-6-12-17-9-4-3-8(21-2)5-10(9)18-12/h3-5,7H,6H2,1-2H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131915305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).