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

C13H14FN5OS — CID 7562963

IUPAC(2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESC[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)NC1CC1
InChIInChI=1S/C13H14FN5OS/c1-8(12(20)15-10-5-6-10)21-13-16-17-18-19(13)11-4-2-3-9(14)7-11/h2-4,7-8,10H,5-6H2,1H3,(H,15,20)/t8-/m0/s1
InChIKeyUDTMVFJVNLEZIX-QMMMGPOBSA-N
MW307.35 g/mol
LogP1.56
Rot. Bonds5

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

(2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 7562963) has the molecular formula C13H14FN5OS and a molecular weight of 307.35 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID7562963
Molecular FormulaC13H14FN5OS
Molecular Weight307.35 g/mol
Exact Mass307.09
IUPAC Name(2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESC[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)NC1CC1
InChIInChI=1S/C13H14FN5OS/c1-8(12(20)15-10-5-6-10)21-13-16-17-18-19(13)11-4-2-3-9(14)7-11/h2-4,7-8,10H,5-6H2,1H3,(H,15,20)/t8-/m0/s1
InChIKeyUDTMVFJVNLEZIX-QMMMGPOBSA-N
XLogP1.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18776191
N-(3,4-difluorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 24500453
(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7802002
N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 46619617
(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 40794893
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7801982
(2S)-N-cyclopentyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7713686
N-cyclohexyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449761
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluorophenyl)propanamide
CID 9382876
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
CID 131930447
N-cyclopropyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51202919
(2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8997445

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide (CID 7562963) is (2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide is C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is UDTMVFJVNLEZIX-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14FN5OS/c1-8(12(20)15-10-5-6-10)21-13-16-17-18-19(13)11-4-2-3-9(14)7-11/h2-4,7-8,10H,5-6H2,1H3,(H,15,20)/t8-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide?
(2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 307.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 7562963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).