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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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).