N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine

C12H20N2S2 — CID 115882093

IUPACN-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
SMILESCCc1nc(CCNC2CCCSC2)cs1
InChIInChI=1S/C12H20N2S2/c1-2-12-14-11(9-16-12)5-6-13-10-4-3-7-15-8-10/h9-10,13H,2-8H2,1H3
InChIKeyXYOOHJVSJYQIPA-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.73
Rot. Bonds5

About N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine

N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine (PubChem CID 115882093) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine.

Molecular Properties

Compound NameN-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
PubChem CID115882093
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC NameN-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
SMILESCCc1nc(CCNC2CCCSC2)cs1
InChIInChI=1S/C12H20N2S2/c1-2-12-14-11(9-16-12)5-6-13-10-4-3-7-15-8-10/h9-10,13H,2-8H2,1H3
InChIKeyXYOOHJVSJYQIPA-UHFFFAOYSA-N
XLogP2.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 115716272
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
CID 63238611
1-cyclopentyl-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylguanidine
CID 110990983
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine
CID 115882106
ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 125438149
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]thian-3-amine
CID 86787560
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 50972952
1-cyclopentyl-3-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 110990984
N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088156
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 81422509
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 122558387

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine?
The IUPAC name of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine (CID 115882093) is N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine.
What is the SMILES notation for N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine?
The canonical SMILES for N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine is CCc1nc(CCNC2CCCSC2)cs1.
What is the InChIKey of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine?
The InChIKey is XYOOHJVSJYQIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-2-12-14-11(9-16-12)5-6-13-10-4-3-7-15-8-10/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine?
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine has a molecular weight of 256.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine is sourced from PubChem (CID 115882093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).