(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide

C14H14N6OS2 — CID 7464575

IUPAC(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C14H14N6OS2/c1-9-5-3-4-6-11(9)20-14(17-18-19-20)23-10(2)12(21)16-13-15-7-8-22-13/h3-8,10H,1-2H3,(H,15,16,21)/t10-/m1/s1
InChIKeyMQIJRPXDNUPWFS-SNVBAGLBSA-N
MW346.44 g/mol
LogP2.55
Rot. Bonds5

About (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide

(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 7464575) has the molecular formula C14H14N6OS2 and a molecular weight of 346.44 g/mol. Its IUPAC name is (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID7464575
Molecular FormulaC14H14N6OS2
Molecular Weight346.44 g/mol
Exact Mass346.07
IUPAC Name(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C14H14N6OS2/c1-9-5-3-4-6-11(9)20-14(17-18-19-20)23-10(2)12(21)16-13-15-7-8-22-13/h3-8,10H,1-2H3,(H,15,16,21)/t10-/m1/s1
InChIKeyMQIJRPXDNUPWFS-SNVBAGLBSA-N
XLogP2.55
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42497210
N-cyclopentyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16650668
(2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464653
(2S)-N-(2-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646697
(2R)-N-(2-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646698
N-(4-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508636
(2S)-N-(3,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646114
(2R)-N-(3,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646116
N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508705
(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 25363493
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 16508706
(2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9462531

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 7464575) is (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide is Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1nccs1.
What is the InChIKey of (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is MQIJRPXDNUPWFS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N6OS2/c1-9-5-3-4-6-11(9)20-14(17-18-19-20)23-10(2)12(21)16-13-15-7-8-22-13/h3-8,10H,1-2H3,(H,15,16,21)/t10-/m1/s1.
What are the key properties of (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 346.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 7464575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).