(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide

C14H15N7OS — CID 94638623

IUPAC(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)[C@@H](C(=O)Nc1nncs1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H15N7OS/c1-9(2)11(13(22)16-14-18-15-8-23-14)21-19-12(17-20-21)10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,16,18,22)/t11-/m0/s1
InChIKeyKJIWPFPANHQLCO-NSHDSACASA-N
MW329.39 g/mol
LogP2.03
Rot. Bonds5

About (2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide

(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 94638623) has the molecular formula C14H15N7OS and a molecular weight of 329.39 g/mol. Its IUPAC name is (2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID94638623
Molecular FormulaC14H15N7OS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)[C@@H](C(=O)Nc1nncs1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H15N7OS/c1-9(2)11(13(22)16-14-18-15-8-23-14)21-19-12(17-20-21)10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,16,18,22)/t11-/m0/s1
InChIKeyKJIWPFPANHQLCO-NSHDSACASA-N
XLogP2.03
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 75490448
3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide
CID 119386255
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide
CID 97319224
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 55996281
N-(2-chloro-4-fluorophenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 60564561
N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 111333121
N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 60567471
3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride
CID 120600412
N-(2-methoxy-5-nitrophenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 47069830
2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid
CID 119346239
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of (2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide (CID 94638623) is (2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for (2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide is CC(C)[C@@H](C(=O)Nc1nncs1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of (2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is KJIWPFPANHQLCO-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N7OS/c1-9(2)11(13(22)16-14-18-15-8-23-14)21-19-12(17-20-21)10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,16,18,22)/t11-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide?
(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 329.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 94638623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).