1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine

C12H20N2S2 — CID 82436767

IUPAC1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)SCc1nc(C2CC2)c(C(C)N)s1
InChIInChI=1S/C12H20N2S2/c1-7(2)15-6-10-14-11(9-4-5-9)12(16-10)8(3)13/h7-9H,4-6,13H2,1-3H3
InChIKeyPCOOBOHXWIGGQV-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.68
Rot. Bonds5

About 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine

1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82436767) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82436767
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)SCc1nc(C2CC2)c(C(C)N)s1
InChIInChI=1S/C12H20N2S2/c1-7(2)15-6-10-14-11(9-4-5-9)12(16-10)8(3)13/h7-9H,4-6,13H2,1-3H3
InChIKeyPCOOBOHXWIGGQV-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82436801
1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82437555
1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone
CID 82436764
N-[[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82436752
1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82437884
1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine
CID 82436993
[2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 114361967
1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine
CID 82436599
1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82436492
2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 65131458
2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432132
1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65390265

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine (CID 82436767) is 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine is CC(C)SCc1nc(C2CC2)c(C(C)N)s1.
What is the InChIKey of 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is PCOOBOHXWIGGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-7(2)15-6-10-14-11(9-4-5-9)12(16-10)8(3)13/h7-9H,4-6,13H2,1-3H3.
What are the key properties of 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 256.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82436767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).