N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide

C9H15N3O2S — CID 65204185

IUPACN-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCCCO
InChIInChI=1S/C9H15N3O2S/c1-6(2)7-8(15-12-11-7)9(14)10-4-3-5-13/h6,13H,3-5H2,1-2H3,(H,10,14)
InChIKeyBNPUSPWKSDXZRM-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.77
Rot. Bonds5

About N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204185) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204185
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCCCO
InChIInChI=1S/C9H15N3O2S/c1-6(2)7-8(15-12-11-7)9(14)10-4-3-5-13/h6,13H,3-5H2,1-2H3,(H,10,14)
InChIKeyBNPUSPWKSDXZRM-UHFFFAOYSA-N
XLogP0.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204488
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 114171221
N-(4-iodobutyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 106846443
N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204345
N-(2-cyanoethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204219
N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 113430435
N-(2-amino-2-sulfanylideneethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204663
N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide
CID 65204482
3-methyl-2-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65214959
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 79245995
N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 113496232
2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
CID 114144262

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204185) is N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is BNPUSPWKSDXZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(2)7-8(15-12-11-7)9(14)10-4-3-5-13/h6,13H,3-5H2,1-2H3,(H,10,14).
What are the key properties of N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).