N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

C14H19N5OS — CID 135120384

IUPACN-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCCC(NC(=O)CSc1nccc(C)n1)c1ccnn1C
InChIInChI=1S/C14H19N5OS/c1-4-11(12-6-8-16-19(12)3)18-13(20)9-21-14-15-7-5-10(2)17-14/h5-8,11H,4,9H2,1-3H3,(H,18,20)
InChIKeyRHGNJVZIJSZJTC-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.88
Rot. Bonds6

About N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135120384) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135120384
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCCC(NC(=O)CSc1nccc(C)n1)c1ccnn1C
InChIInChI=1S/C14H19N5OS/c1-4-11(12-6-8-16-19(12)3)18-13(20)9-21-14-15-7-5-10(2)17-14/h5-8,11H,4,9H2,1-3H3,(H,18,20)
InChIKeyRHGNJVZIJSZJTC-UHFFFAOYSA-N
XLogP1.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CID 135120384) is N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is CCC(NC(=O)CSc1nccc(C)n1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is RHGNJVZIJSZJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-4-11(12-6-8-16-19(12)3)18-13(20)9-21-14-15-7-5-10(2)17-14/h5-8,11H,4,9H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 305.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135120384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).