4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine

C12H19N3S2 — CID 103365547

IUPAC4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
SMILESCCC1CN(c2snc(N)c2C2CC2)CCS1
InChIInChI=1S/C12H19N3S2/c1-2-9-7-15(5-6-16-9)12-10(8-3-4-8)11(13)14-17-12/h8-9H,2-7H2,1H3,(H2,13,14)
InChIKeyLXBWVSDRKDBXMF-UHFFFAOYSA-N
MW269.44 g/mol
LogP2.93
Rot. Bonds3

About 4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine

4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine (PubChem CID 103365547) has the molecular formula C12H19N3S2 and a molecular weight of 269.44 g/mol. Its IUPAC name is 4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
PubChem CID103365547
Molecular FormulaC12H19N3S2
Molecular Weight269.44 g/mol
Exact Mass269.10
IUPAC Name4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
SMILESCCC1CN(c2snc(N)c2C2CC2)CCS1
InChIInChI=1S/C12H19N3S2/c1-2-9-7-15(5-6-16-9)12-10(8-3-4-8)11(13)14-17-12/h8-9H,2-7H2,1H3,(H2,13,14)
InChIKeyLXBWVSDRKDBXMF-UHFFFAOYSA-N
XLogP2.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365542
1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone
CID 103506478
5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384426
4-cyclopropyl-5-morpholin-4-yl-1,2-thiazol-3-amine
CID 103362101
5-(4-tert-butylpiperidin-1-yl)-4-cyclopropyl-1,2-thiazol-3-amine
CID 103360618
4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362747
1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103365979
1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103361511
methyl 3-amino-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxylate
CID 103506526
4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365815
4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103384673
[1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
CID 103361589

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine (CID 103365547) is 4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine is CCC1CN(c2snc(N)c2C2CC2)CCS1.
What is the InChIKey of 4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine?
The InChIKey is LXBWVSDRKDBXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S2/c1-2-9-7-15(5-6-16-9)12-10(8-3-4-8)11(13)14-17-12/h8-9H,2-7H2,1H3,(H2,13,14).
What are the key properties of 4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine?
4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine has a molecular weight of 269.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103365547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).