N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine

C12H18N2S — CID 61280289

IUPACN-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
SMILESc1sc(C2CCCC2)nc1CNC1CC1
InChIInChI=1S/C12H18N2S/c1-2-4-9(3-1)12-14-11(8-15-12)7-13-10-5-6-10/h8-10,13H,1-7H2
InChIKeyOEZJGXGLLPNANH-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.05
Rot. Bonds4

About N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine

N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine (PubChem CID 61280289) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
PubChem CID61280289
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
SMILESc1sc(C2CCCC2)nc1CNC1CC1
InChIInChI=1S/C12H18N2S/c1-2-4-9(3-1)12-14-11(8-15-12)7-13-10-5-6-10/h8-10,13H,1-7H2
InChIKeyOEZJGXGLLPNANH-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62385749
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79965491
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
1-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425440
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 65404612
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 97178754
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79980823
4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole
CID 105479874
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281058

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine (CID 61280289) is N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine is c1sc(C2CCCC2)nc1CNC1CC1.
What is the InChIKey of N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The InChIKey is OEZJGXGLLPNANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-4-9(3-1)12-14-11(8-15-12)7-13-10-5-6-10/h8-10,13H,1-7H2.
What are the key properties of N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine has a molecular weight of 222.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61280289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).