trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine

C10H17N3S — CID 164633102

IUPACtrans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine
SMILESCN(C)[C@H]1CCC[C@@H]1Nc1nccs1
InChIInChI=1S/C10H17N3S/c1-13(2)9-5-3-4-8(9)12-10-11-6-7-14-10/h6-9H,3-5H2,1-2H3,(H,11,12)/t8-,9-/m0/s1
InChIKeyWFJWEVCIKYYMJX-IUCAKERBSA-N
MW211.33 g/mol
LogP2.04
Rot. Bonds3

About trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine

trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine (PubChem CID 164633102) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine
PubChem CID164633102
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Nametrans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine
SMILESCN(C)[C@H]1CCC[C@@H]1Nc1nccs1
InChIInChI=1S/C10H17N3S/c1-13(2)9-5-3-4-8(9)12-10-11-6-7-14-10/h6-9H,3-5H2,1-2H3,(H,11,12)/t8-,9-/m0/s1
InChIKeyWFJWEVCIKYYMJX-IUCAKERBSA-N
XLogP2.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine (CID 164633102) is trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine is CN(C)[C@H]1CCC[C@@H]1Nc1nccs1.
What is the InChIKey of trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine?
The InChIKey is WFJWEVCIKYYMJX-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17N3S/c1-13(2)9-5-3-4-8(9)12-10-11-6-7-14-10/h6-9H,3-5H2,1-2H3,(H,11,12)/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine?
trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine has a molecular weight of 211.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine is sourced from PubChem (CID 164633102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).