N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H24N4OS — CID 70720596

IUPACN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1ncsc1CCN(C)C(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C16H24N4OS/c1-11-14(13(3)20(5)18-11)6-7-16(21)19(4)9-8-15-12(2)17-10-22-15/h10H,6-9H2,1-5H3
InChIKeyKZLFTLXBRVXPHN-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.44
Rot. Bonds6

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

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 70720596) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID70720596
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1ncsc1CCN(C)C(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C16H24N4OS/c1-11-14(13(3)20(5)18-11)6-7-16(21)19(4)9-8-15-12(2)17-10-22-15/h10H,6-9H2,1-5H3
InChIKeyKZLFTLXBRVXPHN-UHFFFAOYSA-N
XLogP2.44
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 70720596) is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1ncsc1CCN(C)C(=O)CCc1c(C)nn(C)c1C.
What is the InChIKey of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is KZLFTLXBRVXPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-11-14(13(3)20(5)18-11)6-7-16(21)19(4)9-8-15-12(2)17-10-22-15/h10H,6-9H2,1-5H3.
What are the key properties of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 320.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 70720596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).