3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine

C9H14N2S — CID 63906927

IUPAC3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine
SMILESNCCCc1nc(C2CC2)cs1
InChIInChI=1S/C9H14N2S/c10-5-1-2-9-11-8(6-12-9)7-3-4-7/h6-7H,1-5,10H2
InChIKeyPXLZJXXBVBPALL-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.91
Rot. Bonds4

About 3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine

3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 63906927) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID63906927
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine
SMILESNCCCc1nc(C2CC2)cs1
InChIInChI=1S/C9H14N2S/c10-5-1-2-9-11-8(6-12-9)7-3-4-7/h6-7H,1-5,10H2
InChIKeyPXLZJXXBVBPALL-UHFFFAOYSA-N
XLogP1.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine (CID 63906927) is 3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine is NCCCc1nc(C2CC2)cs1.
What is the InChIKey of 3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is PXLZJXXBVBPALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c10-5-1-2-9-11-8(6-12-9)7-3-4-7/h6-7H,1-5,10H2.
What are the key properties of 3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine?
3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 182.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 63906927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).