3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide

C12H15N5S — CID 115372209

IUPAC3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide
SMILESNC(=S)CCN(c1ccn2nccc2n1)C1CC1
InChIInChI=1S/C12H15N5S/c13-10(18)4-7-16(9-1-2-9)11-5-8-17-12(15-11)3-6-14-17/h3,5-6,8-9H,1-2,4,7H2,(H2,13,18)
InChIKeyJMGYPQIFPPIDGX-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.37
Rot. Bonds5

About 3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide

3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide (PubChem CID 115372209) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide
PubChem CID115372209
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide
SMILESNC(=S)CCN(c1ccn2nccc2n1)C1CC1
InChIInChI=1S/C12H15N5S/c13-10(18)4-7-16(9-1-2-9)11-5-8-17-12(15-11)3-6-14-17/h3,5-6,8-9H,1-2,4,7H2,(H2,13,18)
InChIKeyJMGYPQIFPPIDGX-UHFFFAOYSA-N
XLogP1.37
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide
CID 113296606
3-[cyclopropyl-(5-methoxy-2-pyridinyl)amino]propanethioamide
CID 106503725
3-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016024
N-[2-(aminomethyl)cyclohexyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372794
3-[cyclopropyl-(5-methylpyrimidin-2-yl)amino]propanethioamide
CID 63208221
N'-ethyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 115373260
2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol
CID 114243521
4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol
CID 91154060
3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide
CID 62939635
2-[propan-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethanol
CID 115372880
3-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanethioamide
CID 54997397
ethyl 2-[cyclopropyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733396

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide?
The IUPAC name of 3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide (CID 115372209) is 3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide.
What is the SMILES notation for 3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide?
The canonical SMILES for 3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide is NC(=S)CCN(c1ccn2nccc2n1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide?
The InChIKey is JMGYPQIFPPIDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c13-10(18)4-7-16(9-1-2-9)11-5-8-17-12(15-11)3-6-14-17/h3,5-6,8-9H,1-2,4,7H2,(H2,13,18).
What are the key properties of 3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide?
3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide has a molecular weight of 261.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide is sourced from PubChem (CID 115372209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).