3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine

C11H18N2S2 — CID 115656347

IUPAC3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
SMILESCSC1CCC(NCc2cnc(C)s2)C1
InChIInChI=1S/C11H18N2S2/c1-8-12-6-11(15-8)7-13-9-3-4-10(5-9)14-2/h6,9-10,13H,3-5,7H2,1-2H3
InChIKeyDHIUHSCPJNCCSD-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.83
Rot. Bonds4

About 3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine

3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine (PubChem CID 115656347) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
PubChem CID115656347
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
SMILESCSC1CCC(NCc2cnc(C)s2)C1
InChIInChI=1S/C11H18N2S2/c1-8-12-6-11(15-8)7-13-9-3-4-10(5-9)14-2/h6,9-10,13H,3-5,7H2,1-2H3
InChIKeyDHIUHSCPJNCCSD-UHFFFAOYSA-N
XLogP2.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732660
1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
CID 79459261
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704086
N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
CID 63622731
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
CID 61280795
(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
CID 124509220
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
CID 60941990
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958342
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 115656374
5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one
CID 63378448

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine (CID 115656347) is 3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine is CSC1CCC(NCc2cnc(C)s2)C1.
What is the InChIKey of 3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine?
The InChIKey is DHIUHSCPJNCCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8-12-6-11(15-8)7-13-9-3-4-10(5-9)14-2/h6,9-10,13H,3-5,7H2,1-2H3.
What are the key properties of 3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine?
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 115656347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).