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

C17H14N6O2S — CID 11632013

IUPACN-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCn1nnc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1
InChIInChI=1S/C17H14N6O2S/c1-2-23-21-15(20-22-23)14-13(11-7-4-3-5-8-11)18-17(26-14)19-16(24)12-9-6-10-25-12/h3-10H,2H2,1H3,(H,18,19,24)
InChIKeySKRPIZKCJOMGQH-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.33
Rot. Bonds5

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

N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 11632013) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID11632013
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCn1nnc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1
InChIInChI=1S/C17H14N6O2S/c1-2-23-21-15(20-22-23)14-13(11-7-4-3-5-8-11)18-17(26-14)19-16(24)12-9-6-10-25-12/h3-10H,2H2,1H3,(H,18,19,24)
InChIKeySKRPIZKCJOMGQH-UHFFFAOYSA-N
XLogP3.33
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide (CID 11632013) is N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide is CCn1nnc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1.
What is the InChIKey of N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is SKRPIZKCJOMGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-2-23-21-15(20-22-23)14-13(11-7-4-3-5-8-11)18-17(26-14)19-16(24)12-9-6-10-25-12/h3-10H,2H2,1H3,(H,18,19,24).
What are the key properties of N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 11632013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).