N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine

C11H18N2S — CID 63830953

IUPACN-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1nc(CCNCC2CCCC2)cs1
InChIInChI=1S/C11H18N2S/c1-2-4-10(3-1)7-12-6-5-11-8-14-9-13-11/h8-10,12H,1-7H2
InChIKeyMLSAASAAQKWODA-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.47
Rot. Bonds5

About N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine

N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 63830953) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID63830953
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1nc(CCNCC2CCCC2)cs1
InChIInChI=1S/C11H18N2S/c1-2-4-10(3-1)7-12-6-5-11-8-14-9-13-11/h8-10,12H,1-7H2
InChIKeyMLSAASAAQKWODA-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63831696
N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830252
N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63823778
N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 82835172
N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829717
tert-butyl 4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103730250
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829903
4-(cyclopentylmethyl)-1,3-thiazole
CID 174863673
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169
1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390075
1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea
CID 49481828
2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916054

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine (CID 63830953) is N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine is c1nc(CCNCC2CCCC2)cs1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is MLSAASAAQKWODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-4-10(3-1)7-12-6-5-11-8-14-9-13-11/h8-10,12H,1-7H2.
What are the key properties of N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 210.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63830953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).