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

C17H14N6O2S — CID 11682117

IUPACN-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCCn1nnc(-c2sc(NC(=O)c3ccoc3)nc2-c2ccccc2)n1
InChIInChI=1S/C17H14N6O2S/c1-2-23-21-15(20-22-23)14-13(11-6-4-3-5-7-11)18-17(26-14)19-16(24)12-8-9-25-10-12/h3-10H,2H2,1H3,(H,18,19,24)
InChIKeyGNTQJACNFWKUAI-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-3-carboxamide

N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 11682117) 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-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide
PubChem CID11682117
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-3-carboxamide
SMILESCCn1nnc(-c2sc(NC(=O)c3ccoc3)nc2-c2ccccc2)n1
InChIInChI=1S/C17H14N6O2S/c1-2-23-21-15(20-22-23)14-13(11-6-4-3-5-7-11)18-17(26-14)19-16(24)12-8-9-25-10-12/h3-10H,2H2,1H3,(H,18,19,24)
InChIKeyGNTQJACNFWKUAI-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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Related Compounds

N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 39189427
N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 11566340
2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 11646119
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102185
2-(3-methoxyphenyl)-N-[4-phenyl-5-[2-(2-phenylethyl)tetrazol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 11648940
2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide
CID 174530752
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide
CID 86874612
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide?
The IUPAC name of N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide (CID 11682117) is N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide is CCn1nnc(-c2sc(NC(=O)c3ccoc3)nc2-c2ccccc2)n1.
What is the InChIKey of N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide?
The InChIKey is GNTQJACNFWKUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-2-23-21-15(20-22-23)14-13(11-6-4-3-5-7-11)18-17(26-14)19-16(24)12-8-9-25-10-12/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-3-carboxamide?
N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-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-3-carboxamide is sourced from PubChem (CID 11682117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).