N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide

C14H17N3O2S — CID 65204140

IUPACN-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H17N3O2S/c1-9(2)12-13(20-17-16-12)14(19)15-11(8-18)10-6-4-3-5-7-10/h3-7,9,11,18H,8H2,1-2H3,(H,15,19)
InChIKeyLZHHMBHRFCIAMV-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.12
Rot. Bonds5

About N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204140) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204140
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H17N3O2S/c1-9(2)12-13(20-17-16-12)14(19)15-11(8-18)10-6-4-3-5-7-10/h3-7,9,11,18H,8H2,1-2H3,(H,15,19)
InChIKeyLZHHMBHRFCIAMV-UHFFFAOYSA-N
XLogP2.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 79245995
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate
CID 114283611
5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
CID 110001623
4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide
CID 39966907
4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65206855
N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide
CID 96996379
4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
CID 124876032
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204861

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204140) is N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is LZHHMBHRFCIAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(2)12-13(20-17-16-12)14(19)15-11(8-18)10-6-4-3-5-7-10/h3-7,9,11,18H,8H2,1-2H3,(H,15,19).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).