1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one

C10H12ClNOS2 — CID 19905256

IUPAC1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CCN1CCSC1)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNOS2/c11-10-2-1-9(15-10)8(13)3-4-12-5-6-14-7-12/h1-2H,3-7H2
InChIKeyHSMVUXNSGFJFCS-UHFFFAOYSA-N
MW261.80 g/mol
LogP2.98
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one

1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 19905256) has the molecular formula C10H12ClNOS2 and a molecular weight of 261.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID19905256
Molecular FormulaC10H12ClNOS2
Molecular Weight261.80 g/mol
Exact Mass261.00
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CCN1CCSC1)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNOS2/c11-10-2-1-9(15-10)8(13)3-4-12-5-6-14-7-12/h1-2H,3-7H2
InChIKeyHSMVUXNSGFJFCS-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one (CID 19905256) is 1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one is O=C(CCN1CCSC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is HSMVUXNSGFJFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS2/c11-10-2-1-9(15-10)8(13)3-4-12-5-6-14-7-12/h1-2H,3-7H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one?
1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 261.80 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 19905256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).