5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H16N2S2 — CID 63296799

IUPAC5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NCC(C2CC2)S1)c1cccs1
InChIInChI=1S/C12H16N2S2/c1-8(10-3-2-6-15-10)14-12-13-7-11(16-12)9-4-5-9/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,13,14)
InChIKeyRCIILTMCMBSJAI-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.28
Rot. Bonds3

About 5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296799) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296799
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NCC(C2CC2)S1)c1cccs1
InChIInChI=1S/C12H16N2S2/c1-8(10-3-2-6-15-10)14-12-13-7-11(16-12)9-4-5-9/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,13,14)
InChIKeyRCIILTMCMBSJAI-UHFFFAOYSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114168314
5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296377
N-[(1S)-1-thiophen-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81408564
2-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-1,1-dimethylhydrazine
CID 83019299
N-[(1R)-1-thiophen-2-ylethyl]bicyclo[3.1.0]hexan-2-amine
CID 130525491
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
N'-cyclopentyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574004
1-pyridin-4-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43343794
5-cyclopropyl-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296342
4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 43081859
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63296799) is 5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(NC1=NCC(C2CC2)S1)c1cccs1.
What is the InChIKey of 5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RCIILTMCMBSJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-8(10-3-2-6-15-10)14-12-13-7-11(16-12)9-4-5-9/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).