N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine

C13H20N2S — CID 82435835

IUPACN-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESCc1nc(C2CC2)c(CNC2CCCC2)s1
InChIInChI=1S/C13H20N2S/c1-9-15-13(10-6-7-10)12(16-9)8-14-11-4-2-3-5-11/h10-11,14H,2-8H2,1H3
InChIKeyBCGZFFNVGSCPED-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.36
Rot. Bonds4

About N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine

N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine (PubChem CID 82435835) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
PubChem CID82435835
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESCc1nc(C2CC2)c(CNC2CCCC2)s1
InChIInChI=1S/C13H20N2S/c1-9-15-13(10-6-7-10)12(16-9)8-14-11-4-2-3-5-11/h10-11,14H,2-8H2,1H3
InChIKeyBCGZFFNVGSCPED-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine (CID 82435835) is N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine is Cc1nc(C2CC2)c(CNC2CCCC2)s1.
What is the InChIKey of N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The InChIKey is BCGZFFNVGSCPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-15-13(10-6-7-10)12(16-9)8-14-11-4-2-3-5-11/h10-11,14H,2-8H2,1H3.
What are the key properties of N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine has a molecular weight of 236.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 82435835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).