2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

C12H16N4OS — CID 47429730

IUPAC2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cc(C(C)C)[nH]n2)s1
InChIInChI=1S/C12H16N4OS/c1-4-11-13-6-9(18-11)12(17)14-10-5-8(7(2)3)15-16-10/h5-7H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyUPFPURHSUJJBRM-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.80
Rot. Bonds4

About 2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 47429730) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID47429730
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cc(C(C)C)[nH]n2)s1
InChIInChI=1S/C12H16N4OS/c1-4-11-13-6-9(18-11)12(17)14-10-5-8(7(2)3)15-16-10/h5-7H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyUPFPURHSUJJBRM-UHFFFAOYSA-N
XLogP2.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (CID 47429730) is 2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)Nc2cc(C(C)C)[nH]n2)s1.
What is the InChIKey of 2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UPFPURHSUJJBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-11-13-6-9(18-11)12(17)14-10-5-8(7(2)3)15-16-10/h5-7H,4H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47429730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).