5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine

C12H14ClN3S — CID 112697226

IUPAC5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCCc1cnc(C(C)Nc2ccc(Cl)cn2)s1
InChIInChI=1S/C12H14ClN3S/c1-3-10-7-15-12(17-10)8(2)16-11-5-4-9(13)6-14-11/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeyDDLLSQQFRXWELM-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.93
Rot. Bonds4

About 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine

5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 112697226) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
PubChem CID112697226
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCCc1cnc(C(C)Nc2ccc(Cl)cn2)s1
InChIInChI=1S/C12H14ClN3S/c1-3-10-7-15-12(17-10)8(2)16-11-5-4-9(13)6-14-11/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeyDDLLSQQFRXWELM-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133335763
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid
CID 113387337
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 113387591
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 97059499
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 115681173
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448693
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 115681182
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxamide
CID 133335711
2-bromo-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 107282266

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine (CID 112697226) is 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine is CCc1cnc(C(C)Nc2ccc(Cl)cn2)s1.
What is the InChIKey of 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is DDLLSQQFRXWELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-3-10-7-15-12(17-10)8(2)16-11-5-4-9(13)6-14-11/h4-8H,3H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 267.79 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 112697226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).