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

C12H18N2S — CID 115724082

IUPACN-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
SMILESc1csc(C(NC2CCCC2)C2CC2)n1
InChIInChI=1S/C12H18N2S/c1-2-4-10(3-1)14-11(9-5-6-9)12-13-7-8-15-12/h7-11,14H,1-6H2
InChIKeyUREWBUXDECYZCC-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.13
Rot. Bonds4

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

N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine (PubChem CID 115724082) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
PubChem CID115724082
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
SMILESc1csc(C(NC2CCCC2)C2CC2)n1
InChIInChI=1S/C12H18N2S/c1-2-4-10(3-1)14-11(9-5-6-9)12-13-7-8-15-12/h7-11,14H,1-6H2
InChIKeyUREWBUXDECYZCC-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine
CID 107133305
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 86786510
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine
CID 65090996
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol
CID 46785170
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 115724090
(1S,3R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 100908270
(1R,3R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 100908267
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
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
(1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 124625282

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine (CID 115724082) is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine is c1csc(C(NC2CCCC2)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine?
The InChIKey is UREWBUXDECYZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-4-10(3-1)14-11(9-5-6-9)12-13-7-8-15-12/h7-11,14H,1-6H2.
What are the key properties of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine?
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine has a molecular weight of 222.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 115724082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).