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

C17H20N6OS — CID 91284431

IUPACN-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCCC(C)(C)c1nccc(-c2sc(NC(=O)n3ccnc3)nc2C)n1
InChIInChI=1S/C17H20N6OS/c1-5-17(3,4)14-19-7-6-12(21-14)13-11(2)20-15(25-13)22-16(24)23-9-8-18-10-23/h6-10H,5H2,1-4H3,(H,20,22,24)
InChIKeyTWVVRWBCYRCZPV-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.87
Rot. Bonds4

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

N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 91284431) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
PubChem CID91284431
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC NameN-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCCC(C)(C)c1nccc(-c2sc(NC(=O)n3ccnc3)nc2C)n1
InChIInChI=1S/C17H20N6OS/c1-5-17(3,4)14-19-7-6-12(21-14)13-11(2)20-15(25-13)22-16(24)23-9-8-18-10-23/h6-10H,5H2,1-4H3,(H,20,22,24)
InChIKeyTWVVRWBCYRCZPV-UHFFFAOYSA-N
XLogP3.87
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 91284431) is N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide is CCC(C)(C)c1nccc(-c2sc(NC(=O)n3ccnc3)nc2C)n1.
What is the InChIKey of N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The InChIKey is TWVVRWBCYRCZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-5-17(3,4)14-19-7-6-12(21-14)13-11(2)20-15(25-13)22-16(24)23-9-8-18-10-23/h6-10H,5H2,1-4H3,(H,20,22,24).
What are the key properties of N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 91284431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).