N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C13H24N4O2S — CID 61039567

IUPACN-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)N(CCCO)C(=O)CSc1nncn1C(C)C
InChIInChI=1S/C13H24N4O2S/c1-10(2)16(6-5-7-18)12(19)8-20-13-15-14-9-17(13)11(3)4/h9-11,18H,5-8H2,1-4H3
InChIKeySWHGUYAFFRSKHP-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.57
Rot. Bonds8

About N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 61039567) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID61039567
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)N(CCCO)C(=O)CSc1nncn1C(C)C
InChIInChI=1S/C13H24N4O2S/c1-10(2)16(6-5-7-18)12(19)8-20-13-15-14-9-17(13)11(3)4/h9-11,18H,5-8H2,1-4H3
InChIKeySWHGUYAFFRSKHP-UHFFFAOYSA-N
XLogP1.57
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 61039567) is N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)N(CCCO)C(=O)CSc1nncn1C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is SWHGUYAFFRSKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10(2)16(6-5-7-18)12(19)8-20-13-15-14-9-17(13)11(3)4/h9-11,18H,5-8H2,1-4H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 300.43 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 61039567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).