N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine

C11H16N2S2 — CID 107133305

IUPACN-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine
SMILESc1csc(C(NC2CC2)C2CCSC2)n1
InChIInChI=1S/C11H16N2S2/c1-2-9(1)13-10(8-3-5-14-7-8)11-12-4-6-15-11/h4,6,8-10,13H,1-3,5,7H2
InChIKeyKMWWGEOILWNHAH-UHFFFAOYSA-N
MW240.40 g/mol
LogP2.69
Rot. Bonds4

About N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine

N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine (PubChem CID 107133305) has the molecular formula C11H16N2S2 and a molecular weight of 240.40 g/mol. Its IUPAC name is N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine
PubChem CID107133305
Molecular FormulaC11H16N2S2
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC NameN-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine
SMILESc1csc(C(NC2CC2)C2CCSC2)n1
InChIInChI=1S/C11H16N2S2/c1-2-9(1)13-10(8-3-5-14-7-8)11-12-4-6-15-11/h4,6,8-10,13H,1-3,5,7H2
InChIKeyKMWWGEOILWNHAH-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine 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

N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
CID 115724082
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine
CID 107133299
N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine
CID 130518317
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine
CID 107133293
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 86786510
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine
CID 107133309
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine
CID 65090996
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 115724090
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol
CID 46785170
4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol
CID 96824330
N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115380884
(1R,3R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 100908267

Frequently Asked Questions

What is the IUPAC name of N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine (CID 107133305) is N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine is c1csc(C(NC2CC2)C2CCSC2)n1.
What is the InChIKey of N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine?
The InChIKey is KMWWGEOILWNHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2/c1-2-9(1)13-10(8-3-5-14-7-8)11-12-4-6-15-11/h4,6,8-10,13H,1-3,5,7H2.
What are the key properties of N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine?
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine has a molecular weight of 240.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 107133305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).