2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide

C17H20ClN3O2S2 — CID 55832085

IUPAC2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(Sc1ccccc1Cl)C(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C17H20ClN3O2S2/c1-12(25-15-5-3-2-4-14(15)18)16(22)20-17-19-13(11-24-17)10-21-6-8-23-9-7-21/h2-5,11-12H,6-10H2,1H3,(H,19,20,22)
InChIKeyUZQXVPAKOWJMIC-UHFFFAOYSA-N
MW397.95 g/mol
LogP3.75
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide

2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 55832085) has the molecular formula C17H20ClN3O2S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID55832085
Molecular FormulaC17H20ClN3O2S2
Molecular Weight397.95 g/mol
Exact Mass397.07
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(Sc1ccccc1Cl)C(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C17H20ClN3O2S2/c1-12(25-15-5-3-2-4-14(15)18)16(22)20-17-19-13(11-24-17)10-21-6-8-23-9-7-21/h2-5,11-12H,6-10H2,1H3,(H,19,20,22)
InChIKeyUZQXVPAKOWJMIC-UHFFFAOYSA-N
XLogP3.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
(2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 30547645
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
2-(4-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78776000
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30547818
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 29324285
1-[(3,4-dichlorophenyl)methyl]-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea;hydrochloride
CID 87736854
(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide
CID 94649834
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 55832085) is 2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide is CC(Sc1ccccc1Cl)C(=O)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is UZQXVPAKOWJMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S2/c1-12(25-15-5-3-2-4-14(15)18)16(22)20-17-19-13(11-24-17)10-21-6-8-23-9-7-21/h2-5,11-12H,6-10H2,1H3,(H,19,20,22).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 397.95 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 55832085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).