3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide

C14H19ClN4OS — CID 118766185

IUPAC3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide
SMILESCc1nc(C(C)N(C)C(=O)CCn2cc(Cl)cn2)c(C)s1
InChIInChI=1S/C14H19ClN4OS/c1-9(14-10(2)21-11(3)17-14)18(4)13(20)5-6-19-8-12(15)7-16-19/h7-9H,5-6H2,1-4H3
InChIKeySCNCBSLUNWDEAD-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.22
Rot. Bonds5

About 3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide

3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide (PubChem CID 118766185) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide
PubChem CID118766185
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide
SMILESCc1nc(C(C)N(C)C(=O)CCn2cc(Cl)cn2)c(C)s1
InChIInChI=1S/C14H19ClN4OS/c1-9(14-10(2)21-11(3)17-14)18(4)13(20)5-6-19-8-12(15)7-16-19/h7-9H,5-6H2,1-4H3
InChIKeySCNCBSLUNWDEAD-UHFFFAOYSA-N
XLogP3.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 118780443
4-chloro-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 126425178
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
CID 70765723
2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide
CID 97155572
2-[3-(4-chloropyrazol-1-yl)propanoyl-cyclopropylamino]propanoic acid
CID 122067122
3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19542099
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide
CID 19458490
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
CID 97204849
methyl 3-(4-chloropyrazol-1-yl)propanoate
CID 7017157
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 70753269
5-(4-chloropyrazol-1-yl)pentanoic acid
CID 61035108
1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 126433011

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide (CID 118766185) is 3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide is Cc1nc(C(C)N(C)C(=O)CCn2cc(Cl)cn2)c(C)s1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide?
The InChIKey is SCNCBSLUNWDEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4OS/c1-9(14-10(2)21-11(3)17-14)18(4)13(20)5-6-19-8-12(15)7-16-19/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide?
3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide has a molecular weight of 326.85 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 118766185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).