1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine

C12H20N2S — CID 104584982

IUPAC1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine
SMILESCC(CC1CC1)NCC(C)c1nccs1
InChIInChI=1S/C12H20N2S/c1-9(12-13-5-6-15-12)8-14-10(2)7-11-3-4-11/h5-6,9-11,14H,3-4,7-8H2,1-2H3
InChIKeyLCGOHWCJQCGJKE-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.02
Rot. Bonds6

About 1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine

1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine (PubChem CID 104584982) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine
PubChem CID104584982
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine
SMILESCC(CC1CC1)NCC(C)c1nccs1
InChIInChI=1S/C12H20N2S/c1-9(12-13-5-6-15-12)8-14-10(2)7-11-3-4-11/h5-6,9-11,14H,3-4,7-8H2,1-2H3
InChIKeyLCGOHWCJQCGJKE-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584966
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 113429636
N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide
CID 104584894
1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115715095
5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 113429640
N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pentan-1-amine
CID 174807948
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 104585067
1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine
CID 104585087
N-[2-(1,3-thiazol-2-yl)propyl]adamantan-2-amine
CID 104584992
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 114128154
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine (CID 104584982) is 1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine is CC(CC1CC1)NCC(C)c1nccs1.
What is the InChIKey of 1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine?
The InChIKey is LCGOHWCJQCGJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(12-13-5-6-15-12)8-14-10(2)7-11-3-4-11/h5-6,9-11,14H,3-4,7-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine?
1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine is sourced from PubChem (CID 104584982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).