(4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C13H22N2S — CID 79247412

IUPAC(4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(NC(C2CC2)C2CC2)=N1
InChIInChI=1S/C13H22N2S/c1-8(2)11-7-16-13(14-11)15-12(9-3-4-9)10-5-6-10/h8-12H,3-7H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyHJQICYKHVRJUAK-LLVKDONJSA-N
MW238.40 g/mol
LogP2.89
Rot. Bonds4

About (4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

(4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79247412) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is (4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79247412
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name(4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(NC(C2CC2)C2CC2)=N1
InChIInChI=1S/C13H22N2S/c1-8(2)11-7-16-13(14-11)15-12(9-3-4-9)10-5-6-10/h8-12H,3-7H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyHJQICYKHVRJUAK-LLVKDONJSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine 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

CID 54440978
CID 54440978
CID 57162043
CID 57162043
CID 123533786
CID 123533786
CID 136628223
CID 136628223
CID 43372388
CID 43372388
CID 43372389
CID 43372389
CID 43440031
CID 43440031
CID 43440162
CID 43440162
CID 43440172
CID 43440172
CID 43440173
CID 43440173
CID 43440175
CID 43440175
CID 43533626
CID 43533626

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 79247412) is (4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)[C@H]1CSC(NC(C2CC2)C2CC2)=N1.
What is the InChIKey of (4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HJQICYKHVRJUAK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2S/c1-8(2)11-7-16-13(14-11)15-12(9-3-4-9)10-5-6-10/h8-12H,3-7H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 238.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79247412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).