1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine

C12H22N2S2 — CID 115694090

IUPAC1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCCSCC(C)NCc1cnc(C(C)C)s1
InChIInChI=1S/C12H22N2S2/c1-5-15-8-10(4)13-6-11-7-14-12(16-11)9(2)3/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyOOSGOSMTKPVKFE-UHFFFAOYSA-N
MW258.46 g/mol
LogP3.50
Rot. Bonds7

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

1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 115694090) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID115694090
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC Name1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCCSCC(C)NCc1cnc(C(C)C)s1
InChIInChI=1S/C12H22N2S2/c1-5-15-8-10(4)13-6-11-7-14-12(16-11)9(2)3/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyOOSGOSMTKPVKFE-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
(2-(2-Methylpropyl)-1,3-thiazol-5-yl)methanamine
CID 57487274
(2-Methyl-1,3-thiazol-5-yl)methanamine
CID 19046689
1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
2-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24274474
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
2-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24279096
Methyl(1,3-thiazol-5-ylmethyl)amine
CID 45121664
(2-Ethyl-1,3-thiazol-5-yl)methanamine
CID 60983127
2-cyanoethyl N-(1,3-thiazol-5-ylmethyl)carbamodithioate
CID 127029081
[(2-Chloro-1,3-thiazol-5-yl)methyl](2-methylpropyl)amine hydrochloride
CID 154814392

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 115694090) is 1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine is CCSCC(C)NCc1cnc(C(C)C)s1.
What is the InChIKey of 1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is OOSGOSMTKPVKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S2/c1-5-15-8-10(4)13-6-11-7-14-12(16-11)9(2)3/h7,9-10,13H,5-6,8H2,1-4H3.
What are the key properties of 1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 258.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 115694090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).