[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone

C16H18ClN3OS2 — CID 120634300

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone
SMILESNCCc1nc(C(=O)N2CCSCC2c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H18ClN3OS2/c17-12-3-1-11(2-4-12)14-10-22-8-7-20(14)16(21)13-9-23-15(19-13)5-6-18/h1-4,9,14H,5-8,10,18H2
InChIKeyVOVCQFULNAUXTM-UHFFFAOYSA-N
MW367.93 g/mol
LogP3.23
Rot. Bonds4

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone (PubChem CID 120634300) has the molecular formula C16H18ClN3OS2 and a molecular weight of 367.93 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone
PubChem CID120634300
Molecular FormulaC16H18ClN3OS2
Molecular Weight367.93 g/mol
Exact Mass367.06
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone
SMILESNCCc1nc(C(=O)N2CCSCC2c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H18ClN3OS2/c17-12-3-1-11(2-4-12)14-10-22-8-7-20(14)16(21)13-9-23-15(19-13)5-6-18/h1-4,9,14H,5-8,10,18H2
InChIKeyVOVCQFULNAUXTM-UHFFFAOYSA-N
XLogP3.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.93
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 120632846
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641393
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2S,3R)-2,3-dimethylpiperidin-1-yl]methanone
CID 124515136
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride
CID 120625314
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120624999
4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride
CID 120628539
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641984
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 120631607
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride
CID 120630505
[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone
CID 119329037
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 66390645
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
CID 66390207

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone (CID 120634300) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone is NCCc1nc(C(=O)N2CCSCC2c2ccc(Cl)cc2)cs1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone?
The InChIKey is VOVCQFULNAUXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS2/c17-12-3-1-11(2-4-12)14-10-22-8-7-20(14)16(21)13-9-23-15(19-13)5-6-18/h1-4,9,14H,5-8,10,18H2.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone has a molecular weight of 367.93 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone is sourced from PubChem (CID 120634300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).