N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide

C11H19N3O3S — CID 106153352

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC(CCO)COC
InChIInChI=1S/C11H19N3O3S/c1-3-4-9-10(18-14-13-9)11(16)12-8(5-6-15)7-17-2/h8,15H,3-7H2,1-2H3,(H,12,16)
InChIKeyJKVJTCUTATWDKS-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.62
Rot. Bonds8

About N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide

N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide (PubChem CID 106153352) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide
PubChem CID106153352
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC(CCO)COC
InChIInChI=1S/C11H19N3O3S/c1-3-4-9-10(18-14-13-9)11(16)12-8(5-6-15)7-17-2/h8,15H,3-7H2,1-2H3,(H,12,16)
InChIKeyJKVJTCUTATWDKS-UHFFFAOYSA-N
XLogP0.62
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromo-4-methoxybutyl)-4-propylthiadiazole-5-carboxamide
CID 106244987
(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205940
N-(5-chloropentan-2-yl)-4-propylthiadiazole-5-carboxamide
CID 114305945
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874
N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 106183126
(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823345
N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 113496232
N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide
CID 65204910
4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
CID 106163749
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 106154208
2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205844
N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799473

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide (CID 106153352) is N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC(CCO)COC.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is JKVJTCUTATWDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-4-9-10(18-14-13-9)11(16)12-8(5-6-15)7-17-2/h8,15H,3-7H2,1-2H3,(H,12,16).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 106153352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).