cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine

C13H20N2S — CID 61337841

IUPACcyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine
SMILESNC(c1nc2c(s1)CCCCCC2)C1CC1
InChIInChI=1S/C13H20N2S/c14-12(9-7-8-9)13-15-10-5-3-1-2-4-6-11(10)16-13/h9,12H,1-8,14H2
InChIKeyDKEBHXSCDCSGRA-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.21
Rot. Bonds2

About cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine

cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine (PubChem CID 61337841) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine
PubChem CID61337841
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Namecyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine
SMILESNC(c1nc2c(s1)CCCCCC2)C1CC1
InChIInChI=1S/C13H20N2S/c14-12(9-7-8-9)13-15-10-5-3-1-2-4-6-11(10)16-13/h9,12H,1-8,14H2
InChIKeyDKEBHXSCDCSGRA-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine?
The IUPAC name of cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine (CID 61337841) is cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine.
What is the SMILES notation for cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine?
The canonical SMILES for cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine is NC(c1nc2c(s1)CCCCCC2)C1CC1.
What is the InChIKey of cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine?
The InChIKey is DKEBHXSCDCSGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c14-12(9-7-8-9)13-15-10-5-3-1-2-4-6-11(10)16-13/h9,12H,1-8,14H2.
What are the key properties of cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine?
cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine has a molecular weight of 236.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine is sourced from PubChem (CID 61337841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).