[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

C14H13Cl2N3O2S — CID 4222905

IUPAC[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc(Nc2ccc(Cl)c(Cl)c2)n1)N1CCOCC1
InChIInChI=1S/C14H13Cl2N3O2S/c15-10-2-1-9(7-11(10)16)17-14-18-12(8-22-14)13(20)19-3-5-21-6-4-19/h1-2,7-8H,3-6H2,(H,17,18)
InChIKeyAXWKSJIKSVMTLM-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.67
Rot. Bonds3

About [2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 4222905) has the molecular formula C14H13Cl2N3O2S and a molecular weight of 358.25 g/mol. Its IUPAC name is [2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID4222905
Molecular FormulaC14H13Cl2N3O2S
Molecular Weight358.25 g/mol
Exact Mass357.01
IUPAC Name[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc(Nc2ccc(Cl)c(Cl)c2)n1)N1CCOCC1
InChIInChI=1S/C14H13Cl2N3O2S/c15-10-2-1-9(7-11(10)16)17-14-18-12(8-22-14)13(20)19-3-5-21-6-4-19/h1-2,7-8H,3-6H2,(H,17,18)
InChIKeyAXWKSJIKSVMTLM-UHFFFAOYSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methanone
CID 35263044
(2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93143143
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818281
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365603
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 59802440
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114124
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813
[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 167862130
[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206553
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 56878046
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365604

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 4222905) is [2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is O=C(c1csc(Nc2ccc(Cl)c(Cl)c2)n1)N1CCOCC1.
What is the InChIKey of [2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is AXWKSJIKSVMTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2S/c15-10-2-1-9(7-11(10)16)17-14-18-12(8-22-14)13(20)19-3-5-21-6-4-19/h1-2,7-8H,3-6H2,(H,17,18).
What are the key properties of [2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 358.25 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 4222905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).