(2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C18H14N6OS2 — CID 40910484

IUPAC(2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14N6OS2/c25-16(20-17-19-11-12-26-17)15(13-7-3-1-4-8-13)27-18-21-22-23-24(18)14-9-5-2-6-10-14/h1-12,15H,(H,19,20,25)/t15-/m0/s1
InChIKeyTZPZXEIVTPGOSF-HNNXBMFYSA-N
MW394.49 g/mol
LogP3.59
Rot. Bonds6

About (2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

(2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 40910484) has the molecular formula C18H14N6OS2 and a molecular weight of 394.49 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID40910484
Molecular FormulaC18H14N6OS2
Molecular Weight394.49 g/mol
Exact Mass394.07
IUPAC Name(2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14N6OS2/c25-16(20-17-19-11-12-26-17)15(13-7-3-1-4-8-13)27-18-21-22-23-24(18)14-9-5-2-6-10-14/h1-12,15H,(H,19,20,25)/t15-/m0/s1
InChIKeyTZPZXEIVTPGOSF-HNNXBMFYSA-N
XLogP3.59
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 2952050
(2R)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 40555263
2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 50929443
(2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464653
(2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2430883
(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464575
2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 18894711
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 132899242
(2S)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42497210
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621115
1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 91248510
(2S)-N-(2,5-dimethylphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 41100980

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of (2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 40910484) is (2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for (2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is TZPZXEIVTPGOSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H14N6OS2/c25-16(20-17-19-11-12-26-17)15(13-7-3-1-4-8-13)27-18-21-22-23-24(18)14-9-5-2-6-10-14/h1-12,15H,(H,19,20,25)/t15-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
(2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 394.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 40910484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).