5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine

C9H14N2S2 — CID 131089612

IUPAC5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCCc1cnc(NC2CCSC2)s1
InChIInChI=1S/C9H14N2S2/c1-2-8-5-10-9(13-8)11-7-3-4-12-6-7/h5,7H,2-4,6H2,1H3,(H,10,11)
InChIKeyNQESJFNYMJESML-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.62
Rot. Bonds3

About 5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine

5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 131089612) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is 5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID131089612
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC Name5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCCc1cnc(NC2CCSC2)s1
InChIInChI=1S/C9H14N2S2/c1-2-8-5-10-9(13-8)11-7-3-4-12-6-7/h5,7H,2-4,6H2,1H3,(H,10,11)
InChIKeyNQESJFNYMJESML-UHFFFAOYSA-N
XLogP2.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 131065715
6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330885
2-chloro-6-ethyl-N-(thiolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322745
N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine
CID 87196019
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
CID 61280795
N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 103701514
6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065273
5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065368
6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 103064329
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
1-methyl-N-(thiolan-3-yl)imidazol-2-amine
CID 103063471
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine (CID 131089612) is 5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine is CCc1cnc(NC2CCSC2)s1.
What is the InChIKey of 5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is NQESJFNYMJESML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-2-8-5-10-9(13-8)11-7-3-4-12-6-7/h5,7H,2-4,6H2,1H3,(H,10,11).
What are the key properties of 5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 214.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 131089612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).