N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

C12H7ClN2O2S2 — CID 2532639

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccco1
InChIInChI=1S/C12H7ClN2O2S2/c13-10-4-3-9(19-10)7-6-18-12(14-7)15-11(16)8-2-1-5-17-8/h1-6H,(H,14,15,16)
InChIKeyBCUZSUHKKVFCBO-UHFFFAOYSA-N
MW310.79 g/mol
LogP4.37
Rot. Bonds3

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 2532639) has the molecular formula C12H7ClN2O2S2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID2532639
Molecular FormulaC12H7ClN2O2S2
Molecular Weight310.79 g/mol
Exact Mass309.96
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccco1
InChIInChI=1S/C12H7ClN2O2S2/c13-10-4-3-9(19-10)7-6-18-12(14-7)15-11(16)8-2-1-5-17-8/h1-6H,(H,14,15,16)
InChIKeyBCUZSUHKKVFCBO-UHFFFAOYSA-N
XLogP4.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 2532639) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccco1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is BCUZSUHKKVFCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S2/c13-10-4-3-9(19-10)7-6-18-12(14-7)15-11(16)8-2-1-5-17-8/h1-6H,(H,14,15,16).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2532639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).