N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H22N4OS — CID 24575402

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C15H22N4OS/c1-9(2)13-8-21-15(16-13)17-14(20)7-6-12-10(3)18-19(5)11(12)4/h8-9H,6-7H2,1-5H3,(H,16,17,20)
InChIKeyGNXQGCWGKJGBTH-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.19
Rot. Bonds5

About N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 24575402) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID24575402
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C15H22N4OS/c1-9(2)13-8-21-15(16-13)17-14(20)7-6-12-10(3)18-19(5)11(12)4/h8-9H,6-7H2,1-5H3,(H,16,17,20)
InChIKeyGNXQGCWGKJGBTH-UHFFFAOYSA-N
XLogP3.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 24575402) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is GNXQGCWGKJGBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9(2)13-8-21-15(16-13)17-14(20)7-6-12-10(3)18-19(5)11(12)4/h8-9H,6-7H2,1-5H3,(H,16,17,20).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 306.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 24575402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).