ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine

C9H20N2S — CID 164573884

IUPACethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine
SMILESCC.CCC1=C(NC)SC(C)N1
InChIInChI=1S/C7H14N2S.C2H6/c1-4-6-7(8-3)10-5(2)9-6;1-2/h5,8-9H,4H2,1-3H3;1-2H3
InChIKeySOISHKJBVAEWPG-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.49
Rot. Bonds2

About ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine

ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine (PubChem CID 164573884) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine.

Molecular Properties

Compound Nameethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine
PubChem CID164573884
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Nameethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine
SMILESCC.CCC1=C(NC)SC(C)N1
InChIInChI=1S/C7H14N2S.C2H6/c1-4-6-7(8-3)10-5(2)9-6;1-2/h5,8-9H,4H2,1-3H3;1-2H3
InChIKeySOISHKJBVAEWPG-UHFFFAOYSA-N
XLogP2.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-2-methyl-3H-1,3-thiazol-4-yl]ethanamine
CID 68119339
4-Tert-butyl-2-methyl-2,3-dihydro-1,3-thiazole
CID 89681828
N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine
CID 118617263
(Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine
CID 118617272
ethane;2-methyl-N-(1-methylsulfanylethyl)pent-2-en-3-amine
CID 141769252
4-Tert-butyl-2-ethyl-2,3-dihydro-1,3-thiazole;ethane
CID 141978076
2-Methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane
CID 142258355
(Z)-2-(aminomethylsulfanyl)-1-N-propylbut-2-ene-1,3-diamine
CID 142914657
Ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole
CID 143942272
5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine
CID 145188275
4-Ethyl-2-methyl-2,3-dihydro-1,3-thiazole
CID 153655107
2,4-Ditert-butyl-2,3-dihydro-1,3-thiazole
CID 164057990

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine?
The IUPAC name of ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine (CID 164573884) is ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine.
What is the SMILES notation for ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine?
The canonical SMILES for ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine is CC.CCC1=C(NC)SC(C)N1.
What is the InChIKey of ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine?
The InChIKey is SOISHKJBVAEWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S.C2H6/c1-4-6-7(8-3)10-5(2)9-6;1-2/h5,8-9H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine?
ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine has a molecular weight of 188.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine is sourced from PubChem (CID 164573884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).