4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide

C13H15N3OS — CID 9089953

IUPAC4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C13H15N3OS/c1-9(11-6-4-3-5-7-11)8-14-13(17)12-10(2)15-16-18-12/h3-7,9H,8H2,1-2H3,(H,14,17)/t9-/m0/s1
InChIKeyYUIWVZBHTYMYTP-VIFPVBQESA-N
MW261.35 g/mol
LogP2.38
Rot. Bonds4

About 4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide

4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide (PubChem CID 9089953) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide
PubChem CID9089953
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C13H15N3OS/c1-9(11-6-4-3-5-7-11)8-14-13(17)12-10(2)15-16-18-12/h3-7,9H,8H2,1-2H3,(H,14,17)/t9-/m0/s1
InChIKeyYUIWVZBHTYMYTP-VIFPVBQESA-N
XLogP2.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]thiadiazole-5-carboxamide
CID 39730184
3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65220608
3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 47220275
N-(2-bromo-3-methoxypropyl)-4-methylthiadiazole-5-carboxamide
CID 114309922
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265
4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
CID 124876032
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylthiadiazole-5-carboxamide
CID 26834158
N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiadiazole-5-carboxamide
CID 77059315
4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 116673105
N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide
CID 102979948

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide (CID 9089953) is 4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC[C@H](C)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide?
The InChIKey is YUIWVZBHTYMYTP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(11-6-4-3-5-7-11)8-14-13(17)12-10(2)15-16-18-12/h3-7,9H,8H2,1-2H3,(H,14,17)/t9-/m0/s1.
What are the key properties of 4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide?
4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 9089953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).