N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide

C19H23ClN4O3S — CID 86882802

IUPACN-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)Nc1nccs1)NCC(c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C19H23ClN4O3S/c20-15-3-1-2-14(12-15)16(24-7-9-27-10-8-24)13-22-17(25)4-5-18(26)23-19-21-6-11-28-19/h1-3,6,11-12,16H,4-5,7-10,13H2,(H,22,25)(H,21,23,26)
InChIKeyGIVDFTIODVXQHT-UHFFFAOYSA-N
MW422.94 g/mol
LogP2.70
Rot. Bonds8

About N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide

N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide (PubChem CID 86882802) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide
PubChem CID86882802
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC NameN-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)Nc1nccs1)NCC(c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C19H23ClN4O3S/c20-15-3-1-2-14(12-15)16(24-7-9-27-10-8-24)13-22-17(25)4-5-18(26)23-19-21-6-11-28-19/h1-3,6,11-12,16H,4-5,7-10,13H2,(H,22,25)(H,21,23,26)
InChIKeyGIVDFTIODVXQHT-UHFFFAOYSA-N
XLogP2.70
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119875126
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119875158
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
CID 95315480
2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119875168
N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine
CID 95312339
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51334262
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 86882877
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119875170
1-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylguanidine
CID 99845927

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide (CID 86882802) is N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide is O=C(CCC(=O)Nc1nccs1)NCC(c1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is GIVDFTIODVXQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c20-15-3-1-2-14(12-15)16(24-7-9-27-10-8-24)13-22-17(25)4-5-18(26)23-19-21-6-11-28-19/h1-3,6,11-12,16H,4-5,7-10,13H2,(H,22,25)(H,21,23,26).
What are the key properties of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide?
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 422.94 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 86882802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).