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

C18H27N5OS — CID 120998441

IUPAC2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CC(C)C(=O)Nc1ncc(C2CCNCC2)s1
InChIInChI=1S/C18H27N5OS/c1-11(9-15-12(2)22-23(4)13(15)3)17(24)21-18-20-10-16(25-18)14-5-7-19-8-6-14/h10-11,14,19H,5-9H2,1-4H3,(H,20,21,24)
InChIKeyYTANYVDWLVEBJM-UHFFFAOYSA-N
MW361.52 g/mol
LogP2.78
Rot. Bonds5

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

2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 120998441) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID120998441
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CC(C)C(=O)Nc1ncc(C2CCNCC2)s1
InChIInChI=1S/C18H27N5OS/c1-11(9-15-12(2)22-23(4)13(15)3)17(24)21-18-20-10-16(25-18)14-5-7-19-8-6-14/h10-11,14,19H,5-9H2,1-4H3,(H,20,21,24)
InChIKeyYTANYVDWLVEBJM-UHFFFAOYSA-N
XLogP2.78
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 120998441) is 2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CC(C)C(=O)Nc1ncc(C2CCNCC2)s1.
What is the InChIKey of 2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is YTANYVDWLVEBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-11(9-15-12(2)22-23(4)13(15)3)17(24)21-18-20-10-16(25-18)14-5-7-19-8-6-14/h10-11,14,19H,5-9H2,1-4H3,(H,20,21,24).
What are the key properties of 2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 361.52 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 120998441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).