1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine

C7H11ClN2S — CID 163278218

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1ncc(Cl)s1
InChIInChI=1S/C7H11ClN2S/c1-3-9-5(2)7-10-4-6(8)11-7/h4-5,9H,3H2,1-2H3
InChIKeyNGUYZWZDMFYYOR-UHFFFAOYSA-N
MW190.70 g/mol
LogP2.47
Rot. Bonds3

About 1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine

1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine (PubChem CID 163278218) has the molecular formula C7H11ClN2S and a molecular weight of 190.70 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine
PubChem CID163278218
Molecular FormulaC7H11ClN2S
Molecular Weight190.70 g/mol
Exact Mass190.03
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1ncc(Cl)s1
InChIInChI=1S/C7H11ClN2S/c1-3-9-5(2)7-10-4-6(8)11-7/h4-5,9H,3H2,1-2H3
InChIKeyNGUYZWZDMFYYOR-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.70
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-Thiazol-2-yl)ethan-1-amine
CID 19896985
1-(1,3-Thiazol-2-yl)ethan-1-amine hydrochloride
CID 56777102
1-(5-Chloro-1,3-thiazol-2-yl)methanamine hydrochloride
CID 74890022
1-(5-Chloro-1,3-thiazol-2-yl)propan-1-amine hydrochloride
CID 165589647
(1R)-1-(1,3-thiazol-2-yl)propan-1-amine dihydrochloride
CID 170911662
(1S)-1-(1,3-thiazol-2-yl)propan-1-amine dihydrochloride
CID 170912706
(alphaS)-alpha-Methyl-2-thiazolemethanamine
CID 10725371
(5-Chlorothiazol-2-YL)methanamine
CID 64984934
(1R)-1-(5-bromo-1,3-thiazol-2-yl)ethanamine hydrochloride
CID 68156351
1-(5-Chloro-1,3-thiazol-2-yl)propan-1-amine
CID 66220871
N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 80695336
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 103275762

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine (CID 163278218) is 1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine is CCNC(C)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine?
The InChIKey is NGUYZWZDMFYYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2S/c1-3-9-5(2)7-10-4-6(8)11-7/h4-5,9H,3H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine?
1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine has a molecular weight of 190.70 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-N-ethylethanamine is sourced from PubChem (CID 163278218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).