2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide

C15H16N4OS — CID 50844614

IUPAC2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccc3c(c2)ncn3C)s1
InChIInChI=1S/C15H16N4OS/c1-9-14(21-10(2)18-9)15(20)16-7-11-4-5-13-12(6-11)17-8-19(13)3/h4-6,8H,7H2,1-3H3,(H,16,20)
InChIKeyQRQOOBQZXJOFAL-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.58
Rot. Bonds3

About 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 50844614) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID50844614
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccc3c(c2)ncn3C)s1
InChIInChI=1S/C15H16N4OS/c1-9-14(21-10(2)18-9)15(20)16-7-11-4-5-13-12(6-11)17-8-19(13)3/h4-6,8H,7H2,1-3H3,(H,16,20)
InChIKeyQRQOOBQZXJOFAL-UHFFFAOYSA-N
XLogP2.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide (CID 50844614) is 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCc2ccc3c(c2)ncn3C)s1.
What is the InChIKey of 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QRQOOBQZXJOFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9-14(21-10(2)18-9)15(20)16-7-11-4-5-13-12(6-11)17-8-19(13)3/h4-6,8H,7H2,1-3H3,(H,16,20).
What are the key properties of 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50844614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).