1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one

C12H15ClN4OS — CID 116575642

IUPAC1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one
SMILESCCn1nc(C)c(Cl)c1CC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H15ClN4OS/c1-3-17-10(11(13)7(2)16-17)5-9(18)4-8-6-19-12(14)15-8/h6H,3-5H2,1-2H3,(H2,14,15)
InChIKeyYUQKDBVLXZXIOX-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.26
Rot. Bonds5

About 1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one

1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one (PubChem CID 116575642) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one
PubChem CID116575642
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one
SMILESCCn1nc(C)c(Cl)c1CC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H15ClN4OS/c1-3-17-10(11(13)7(2)16-17)5-9(18)4-8-6-19-12(14)15-8/h6H,3-5H2,1-2H3,(H2,14,15)
InChIKeyYUQKDBVLXZXIOX-UHFFFAOYSA-N
XLogP2.26
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one
CID 114980628
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543734
3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one
CID 116583961
1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one
CID 116575731
1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062093
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-one
CID 105109768
3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-phenylbutan-2-one
CID 116563879
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 66072201
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one
CID 116575765
1-[1-(aminomethyl)cyclohexyl]-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one
CID 116614321
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(prop-2-enylamino)propan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one?
The IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one (CID 116575642) is 1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one is CCn1nc(C)c(Cl)c1CC(=O)Cc1csc(N)n1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one?
The InChIKey is YUQKDBVLXZXIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-3-17-10(11(13)7(2)16-17)5-9(18)4-8-6-19-12(14)15-8/h6H,3-5H2,1-2H3,(H2,14,15).
What are the key properties of 1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one?
1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one has a molecular weight of 298.80 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-4-yl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one is sourced from PubChem (CID 116575642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).