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

C13H18N4OS — CID 117080780

IUPACN-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H18N4OS/c1-5-6-14-12(18)10-7-19-13(15-10)11-8(2)16-17(4)9(11)3/h7H,5-6H2,1-4H3,(H,14,18)
InChIKeyCKSWIKLZTOBZHX-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.30
Rot. Bonds4

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

N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 117080780) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID117080780
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H18N4OS/c1-5-6-14-12(18)10-7-19-13(15-10)11-8(2)16-17(4)9(11)3/h7H,5-6H2,1-4H3,(H,14,18)
InChIKeyCKSWIKLZTOBZHX-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 117080780) is N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CCCNC(=O)c1csc(-c2c(C)nn(C)c2C)n1.
What is the InChIKey of N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CKSWIKLZTOBZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-5-6-14-12(18)10-7-19-13(15-10)11-8(2)16-17(4)9(11)3/h7H,5-6H2,1-4H3,(H,14,18).
What are the key properties of N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117080780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).