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

C13H22N2S — CID 64918687

IUPAC1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NC)(c1nc(C(C)C)cs1)C1CC1
InChIInChI=1S/C13H22N2S/c1-5-13(14-4,10-6-7-10)12-15-11(8-16-12)9(2)3/h8-10,14H,5-7H2,1-4H3
InChIKeyHCIIKYLVMLSHGR-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.50
Rot. Bonds5

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

1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 64918687) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID64918687
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NC)(c1nc(C(C)C)cs1)C1CC1
InChIInChI=1S/C13H22N2S/c1-5-13(14-4,10-6-7-10)12-15-11(8-16-12)9(2)3/h8-10,14H,5-7H2,1-4H3
InChIKeyHCIIKYLVMLSHGR-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine (CID 64918687) is 1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine is CCC(NC)(c1nc(C(C)C)cs1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is HCIIKYLVMLSHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-5-13(14-4,10-6-7-10)12-15-11(8-16-12)9(2)3/h8-10,14H,5-7H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 64918687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).