(2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate

C15H16ClNO3S2 — CID 55570294

IUPAC(2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
SMILESCCCc1nc(COC(=O)CCC(=O)c2ccc(Cl)s2)cs1
InChIInChI=1S/C15H16ClNO3S2/c1-2-3-14-17-10(9-21-14)8-20-15(19)7-4-11(18)12-5-6-13(16)22-12/h5-6,9H,2-4,7-8H2,1H3
InChIKeyPSJMHGBLVRPZKS-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.52
Rot. Bonds8

About (2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate

(2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate (PubChem CID 55570294) has the molecular formula C15H16ClNO3S2 and a molecular weight of 357.88 g/mol. Its IUPAC name is (2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate.

Molecular Properties

Compound Name(2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
PubChem CID55570294
Molecular FormulaC15H16ClNO3S2
Molecular Weight357.88 g/mol
Exact Mass357.03
IUPAC Name(2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
SMILESCCCc1nc(COC(=O)CCC(=O)c2ccc(Cl)s2)cs1
InChIInChI=1S/C15H16ClNO3S2/c1-2-3-14-17-10(9-21-14)8-20-15(19)7-4-11(18)12-5-6-13(16)22-12/h5-6,9H,2-4,7-8H2,1H3
InChIKeyPSJMHGBLVRPZKS-UHFFFAOYSA-N
XLogP4.52
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 42983244
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 55424099
amino 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 142178615
(2-ethyl-1,3-thiazol-4-yl)methyl hexanoate
CID 78842387
(2-ethyl-1,3-thiazol-4-yl)methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 55541281
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 8941213
(2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 55570096
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide
CID 43054602
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583413
[2-(2-methylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238274

Frequently Asked Questions

What is the IUPAC name of (2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The IUPAC name of (2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate (CID 55570294) is (2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate.
What is the SMILES notation for (2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The canonical SMILES for (2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate is CCCc1nc(COC(=O)CCC(=O)c2ccc(Cl)s2)cs1.
What is the InChIKey of (2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The InChIKey is PSJMHGBLVRPZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S2/c1-2-3-14-17-10(9-21-14)8-20-15(19)7-4-11(18)12-5-6-13(16)22-12/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of (2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
(2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate has a molecular weight of 357.88 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate is sourced from PubChem (CID 55570294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).