N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C16H22N4OS — CID 91923849

IUPACN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2ncc(C)n2C2CCC2)s1
InChIInChI=1S/C16H22N4OS/c1-10-9-18-14(20(10)13-5-4-6-13)7-8-17-16(21)15-11(2)19-12(3)22-15/h9,13H,4-8H2,1-3H3,(H,17,21)
InChIKeyCIJCSHHTHCHHST-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 91923849) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID91923849
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2ncc(C)n2C2CCC2)s1
InChIInChI=1S/C16H22N4OS/c1-10-9-18-14(20(10)13-5-4-6-13)7-8-17-16(21)15-11(2)19-12(3)22-15/h9,13H,4-8H2,1-3H3,(H,17,21)
InChIKeyCIJCSHHTHCHHST-UHFFFAOYSA-N
XLogP2.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 91923849) is N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCc2ncc(C)n2C2CCC2)s1.
What is the InChIKey of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is CIJCSHHTHCHHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10-9-18-14(20(10)13-5-4-6-13)7-8-17-16(21)15-11(2)19-12(3)22-15/h9,13H,4-8H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91923849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).