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

C10H12N4OS — CID 131101814

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide
SMILESCc1nc(C)c(CNC(=O)n2ccnc2)s1
InChIInChI=1S/C10H12N4OS/c1-7-9(16-8(2)13-7)5-12-10(15)14-4-3-11-6-14/h3-4,6H,5H2,1-2H3,(H,12,15)
InChIKeyQQXVVZJLVRNBAL-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.71
Rot. Bonds2

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide (PubChem CID 131101814) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide
PubChem CID131101814
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide
SMILESCc1nc(C)c(CNC(=O)n2ccnc2)s1
InChIInChI=1S/C10H12N4OS/c1-7-9(16-8(2)13-7)5-12-10(15)14-4-3-11-6-14/h3-4,6H,5H2,1-2H3,(H,12,15)
InChIKeyQQXVVZJLVRNBAL-UHFFFAOYSA-N
XLogP1.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide (CID 131101814) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide is Cc1nc(C)c(CNC(=O)n2ccnc2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide?
The InChIKey is QQXVVZJLVRNBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-7-9(16-8(2)13-7)5-12-10(15)14-4-3-11-6-14/h3-4,6H,5H2,1-2H3,(H,12,15).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide is sourced from PubChem (CID 131101814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).