4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide

C19H23ClN4O3S — CID 30547785

IUPAC4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C19H23ClN4O3S/c20-15-5-3-14(4-6-15)18(26)21-7-1-2-17(25)23-19-22-16(13-28-19)12-24-8-10-27-11-9-24/h3-6,13H,1-2,7-12H2,(H,21,26)(H,22,23,25)
InChIKeyBXZMPMKYVGEXHE-UHFFFAOYSA-N
MW422.94 g/mol
LogP2.78
Rot. Bonds8

About 4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide

4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide (PubChem CID 30547785) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is 4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
PubChem CID30547785
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC Name4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C19H23ClN4O3S/c20-15-5-3-14(4-6-15)18(26)21-7-1-2-17(25)23-19-22-16(13-28-19)12-24-8-10-27-11-9-24/h3-6,13H,1-2,7-12H2,(H,21,26)(H,22,23,25)
InChIKeyBXZMPMKYVGEXHE-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 31005479
2-(4-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78776000
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 112761980
4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide
CID 29324976
N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 26469275
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 78776007
1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 112761977
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30547818
3-(4-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 46525016
4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 59698895
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide
CID 30547847

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide (CID 30547785) is 4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of 4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide?
The InChIKey is BXZMPMKYVGEXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c20-15-5-3-14(4-6-15)18(26)21-7-1-2-17(25)23-19-22-16(13-28-19)12-24-8-10-27-11-9-24/h3-6,13H,1-2,7-12H2,(H,21,26)(H,22,23,25).
What are the key properties of 4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide has a molecular weight of 422.94 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 30547785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).