N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide

C8H12N2OS — CID 166021780

IUPACN-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1ncc(C(C)C)s1
InChIInChI=1S/C8H12N2OS/c1-5(2)6-4-10-8(12-6)7(11)9-3/h4-5H,1-3H3,(H,9,11)
InChIKeyZBKBLMJJPPJTNZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.63
Rot. Bonds2

About N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide

N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 166021780) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID166021780
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1ncc(C(C)C)s1
InChIInChI=1S/C8H12N2OS/c1-5(2)6-4-10-8(12-6)7(11)9-3/h4-5H,1-3H3,(H,9,11)
InChIKeyZBKBLMJJPPJTNZ-UHFFFAOYSA-N
XLogP1.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide (CID 166021780) is N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide is CNC(=O)c1ncc(C(C)C)s1.
What is the InChIKey of N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is ZBKBLMJJPPJTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5(2)6-4-10-8(12-6)7(11)9-3/h4-5H,1-3H3,(H,9,11).
What are the key properties of N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide?
N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 166021780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).