N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide

C15H11ClN2O2S — CID 1175973

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H11ClN2O2S/c1-18(14(19)13-3-2-8-20-13)15-17-12(9-21-15)10-4-6-11(16)7-5-10/h2-9H,1H3
InChIKeyQJMFHXJUNNSTDD-UHFFFAOYSA-N
MW318.79 g/mol
LogP4.33
Rot. Bonds3

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide (PubChem CID 1175973) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide
PubChem CID1175973
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H11ClN2O2S/c1-18(14(19)13-3-2-8-20-13)15-17-12(9-21-15)10-4-6-11(16)7-5-10/h2-9H,1H3
InChIKeyQJMFHXJUNNSTDD-UHFFFAOYSA-N
XLogP4.33
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide (CID 1175973) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide?
The InChIKey is QJMFHXJUNNSTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c1-18(14(19)13-3-2-8-20-13)15-17-12(9-21-15)10-4-6-11(16)7-5-10/h2-9H,1H3.
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide has a molecular weight of 318.79 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 1175973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).