N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C12H12FN5OS — CID 7801887

IUPACN-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(F)c1)NC1CC1
InChIInChI=1S/C12H12FN5OS/c13-8-2-1-3-10(6-8)18-12(15-16-17-18)20-7-11(19)14-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,19)
InChIKeyRKRRRWXRDXRCEW-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.17
Rot. Bonds5

About N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7801887) has the molecular formula C12H12FN5OS and a molecular weight of 293.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7801887
Molecular FormulaC12H12FN5OS
Molecular Weight293.33 g/mol
Exact Mass293.07
IUPAC NameN-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(F)c1)NC1CC1
InChIInChI=1S/C12H12FN5OS/c13-8-2-1-3-10(6-8)18-12(15-16-17-18)20-7-11(19)14-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,19)
InChIKeyRKRRRWXRDXRCEW-UHFFFAOYSA-N
XLogP1.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
[5-({2-[(2,4-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]acetic acid
CID 714841
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
2-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]acetic acid
CID 806763
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetohydrazide
CID 671673
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-(3-Acetylamino-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 647370

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 7801887) is N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1cccc(F)c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is RKRRRWXRDXRCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5OS/c13-8-2-1-3-10(6-8)18-12(15-16-17-18)20-7-11(19)14-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,19).
What are the key properties of N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 293.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7801887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).