2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

C13H18N4OS — CID 50745191

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(-n2nc(C)cc2C)nc1C
InChIInChI=1S/C13H18N4OS/c1-5-6-14-12(18)11-10(4)15-13(19-11)17-9(3)7-8(2)16-17/h7H,5-6H2,1-4H3,(H,14,18)
InChIKeyTWHGRQOJCFNDLP-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.39
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 50745191) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID50745191
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(-n2nc(C)cc2C)nc1C
InChIInChI=1S/C13H18N4OS/c1-5-6-14-12(18)11-10(4)15-13(19-11)17-9(3)7-8(2)16-17/h7H,5-6H2,1-4H3,(H,14,18)
InChIKeyTWHGRQOJCFNDLP-UHFFFAOYSA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (CID 50745191) is 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1sc(-n2nc(C)cc2C)nc1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is TWHGRQOJCFNDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-5-6-14-12(18)11-10(4)15-13(19-11)17-9(3)7-8(2)16-17/h7H,5-6H2,1-4H3,(H,14,18).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50745191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).