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

C10H17N3O2S — CID 61039331

IUPACN-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C10H17N3O2S/c1-7(2)13(5-4-6-14)10(15)9-8(3)11-12-16-9/h7,14H,4-6H2,1-3H3
InChIKeyIJKBHHBRYGCJNB-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.08
Rot. Bonds5

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

N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 61039331) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide
PubChem CID61039331
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C10H17N3O2S/c1-7(2)13(5-4-6-14)10(15)9-8(3)11-12-16-9/h7,14H,4-6H2,1-3H3
InChIKeyIJKBHHBRYGCJNB-UHFFFAOYSA-N
XLogP1.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide (CID 61039331) is N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is IJKBHHBRYGCJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(2)13(5-4-6-14)10(15)9-8(3)11-12-16-9/h7,14H,4-6H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide?
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 61039331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).