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

C17H13ClN6O2S — CID 47082768

IUPAC4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)c1Cl
InChIInChI=1S/C17H13ClN6O2S/c1-9-14(15(18)10(2)26-9)16(25)21-17-20-13(7-27-17)11-4-3-5-12(6-11)24-8-19-22-23-24/h3-8H,1-2H3,(H,20,21,25)
InChIKeyXVPRWMAIUDGGKB-UHFFFAOYSA-N
MW400.85 g/mol
LogP3.90
Rot. Bonds4

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

4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 47082768) has the molecular formula C17H13ClN6O2S and a molecular weight of 400.85 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide
PubChem CID47082768
Molecular FormulaC17H13ClN6O2S
Molecular Weight400.85 g/mol
Exact Mass400.05
IUPAC Name4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)c1Cl
InChIInChI=1S/C17H13ClN6O2S/c1-9-14(15(18)10(2)26-9)16(25)21-17-20-13(7-27-17)11-4-3-5-12(6-11)24-8-19-22-23-24/h3-8H,1-2H3,(H,20,21,25)
InChIKeyXVPRWMAIUDGGKB-UHFFFAOYSA-N
XLogP3.90
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 62942366
2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide
CID 167837597
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
CID 55434284
ethyl 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carboxylate
CID 61385361
4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde
CID 62927731
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 78775297
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 4802425
2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole
CID 62922172
4-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 47026194
4-(tetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 51149957
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 8801292
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide (CID 47082768) is 4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide is Cc1oc(C)c(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)c1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The InChIKey is XVPRWMAIUDGGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2S/c1-9-14(15(18)10(2)26-9)16(25)21-17-20-13(7-27-17)11-4-3-5-12(6-11)24-8-19-22-23-24/h3-8H,1-2H3,(H,20,21,25).
What are the key properties of 4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 400.85 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 47082768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).