3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine

C10H16N2S2 — CID 115732660

IUPAC3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
SMILESCSC1CCC(NCc2cncs2)C1
InChIInChI=1S/C10H16N2S2/c1-13-9-3-2-8(4-9)12-6-10-5-11-7-14-10/h5,7-9,12H,2-4,6H2,1H3
InChIKeyKDIPVBBKCDOFLE-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.52
Rot. Bonds4

About 3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine

3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine (PubChem CID 115732660) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
PubChem CID115732660
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
SMILESCSC1CCC(NCc2cncs2)C1
InChIInChI=1S/C10H16N2S2/c1-13-9-3-2-8(4-9)12-6-10-5-11-7-14-10/h5,7-9,12H,2-4,6H2,1H3
InChIKeyKDIPVBBKCDOFLE-UHFFFAOYSA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732676
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
CID 115656347
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103701381
N-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 112644654
3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 115656335
(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
CID 130891979
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 115656374
2-(1,3-thiazol-5-ylmethylamino)cyclohexan-1-ol
CID 62758912
N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701416

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine (CID 115732660) is 3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine is CSC1CCC(NCc2cncs2)C1.
What is the InChIKey of 3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine?
The InChIKey is KDIPVBBKCDOFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-13-9-3-2-8(4-9)12-6-10-5-11-7-14-10/h5,7-9,12H,2-4,6H2,1H3.
What are the key properties of 3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine?
3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine has a molecular weight of 228.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 115732660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).