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

C18H21BrN4O3S — CID 31005479

IUPAC4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C18H21BrN4O3S/c19-14-3-1-13(2-4-14)17(25)20-6-5-16(24)22-18-21-15(12-27-18)11-23-7-9-26-10-8-23/h1-4,12H,5-11H2,(H,20,25)(H,21,22,24)
InChIKeyHYBULSQYHOBBNB-UHFFFAOYSA-N
MW453.36 g/mol
LogP2.50
Rot. Bonds7

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

4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (PubChem CID 31005479) has the molecular formula C18H21BrN4O3S and a molecular weight of 453.36 g/mol. Its IUPAC name is 4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
PubChem CID31005479
Molecular FormulaC18H21BrN4O3S
Molecular Weight453.36 g/mol
Exact Mass452.05
IUPAC Name4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C18H21BrN4O3S/c19-14-3-1-13(2-4-14)17(25)20-6-5-16(24)22-18-21-15(12-27-18)11-23-7-9-26-10-8-23/h1-4,12H,5-11H2,(H,20,25)(H,21,22,24)
InChIKeyHYBULSQYHOBBNB-UHFFFAOYSA-N
XLogP2.50
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[3-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43004968
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CID 30547785
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
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CID 30547818
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005
3-(4-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 46525016
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-naphthalen-2-ylpropanamide
CID 55855793
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide
CID 30547847
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
2-methyl-N-[2-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-3-carboxamide
CID 87012891
N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 42933420
4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (CID 31005479) is 4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of 4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is HYBULSQYHOBBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O3S/c19-14-3-1-13(2-4-14)17(25)20-6-5-16(24)22-18-21-15(12-27-18)11-23-7-9-26-10-8-23/h1-4,12H,5-11H2,(H,20,25)(H,21,22,24).
What are the key properties of 4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 453.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 31005479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).