2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

C13H17N5O2S — CID 47046849

IUPAC2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)Nc2ccn(C)n2)cs1
InChIInChI=1S/C13H17N5O2S/c1-8(2)12(20)16-13-14-9(7-21-13)6-11(19)15-10-4-5-18(3)17-10/h4-5,7-8H,6H2,1-3H3,(H,14,16,20)(H,15,17,19)
InChIKeyUZFGBTIYIXBRHQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.65
Rot. Bonds5

About 2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 47046849) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID47046849
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)Nc2ccn(C)n2)cs1
InChIInChI=1S/C13H17N5O2S/c1-8(2)12(20)16-13-14-9(7-21-13)6-11(19)15-10-4-5-18(3)17-10/h4-5,7-8H,6H2,1-3H3,(H,14,16,20)(H,15,17,19)
InChIKeyUZFGBTIYIXBRHQ-UHFFFAOYSA-N
XLogP1.65
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (CID 47046849) is 2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is CC(C)C(=O)Nc1nc(CC(=O)Nc2ccn(C)n2)cs1.
What is the InChIKey of 2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is UZFGBTIYIXBRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-8(2)12(20)16-13-14-9(7-21-13)6-11(19)15-10-4-5-18(3)17-10/h4-5,7-8H,6H2,1-3H3,(H,14,16,20)(H,15,17,19).
What are the key properties of 2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 307.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 47046849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).