(2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide

C14H12ClN3O2S — CID 6533688

IUPAC(2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide
SMILESO=C(/C=c1\sc2n(c1=O)CCCN=2)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O2S/c15-9-2-4-10(5-3-9)17-12(19)8-11-13(20)18-7-1-6-16-14(18)21-11/h2-5,8H,1,6-7H2,(H,17,19)/b11-8-
InChIKeyJKZQQFPTHAAQFW-FLIBITNWSA-N
MW321.79 g/mol
LogP1.01
Rot. Bonds2

About (2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide

(2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide (PubChem CID 6533688) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is (2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide
PubChem CID6533688
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name(2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide
SMILESO=C(/C=c1\sc2n(c1=O)CCCN=2)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O2S/c15-9-2-4-10(5-3-9)17-12(19)8-11-13(20)18-7-1-6-16-14(18)21-11/h2-5,8H,1,6-7H2,(H,17,19)/b11-8-
InChIKeyJKZQQFPTHAAQFW-FLIBITNWSA-N
XLogP1.01
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-2-[(4-fluorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 6367618
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 4737197
1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 840553
3-(4-chlorophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 925582
1-(4-chlorophenyl)-3-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22509963
N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide
CID 22755887
N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide
CID 581272
(2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 140897114
N-(4-chlorophenyl)-2-(4-oxo-1,3-thiazol-2-yl)acetamide
CID 2805466
1-(5-bromo-2,3,4,5-tetrahydropyridin-6-yl)-3-(4-chlorophenyl)urea
CID 165350444
(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30268790
S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate
CID 117060431

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide?
The IUPAC name of (2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide (CID 6533688) is (2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide?
The canonical SMILES for (2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide is O=C(/C=c1\sc2n(c1=O)CCCN=2)Nc1ccc(Cl)cc1.
What is the InChIKey of (2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide?
The InChIKey is JKZQQFPTHAAQFW-FLIBITNWSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-9-2-4-10(5-3-9)17-12(19)8-11-13(20)18-7-1-6-16-14(18)21-11/h2-5,8H,1,6-7H2,(H,17,19)/b11-8-.
What are the key properties of (2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide?
(2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide has a molecular weight of 321.79 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(4-chlorophenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetamide is sourced from PubChem (CID 6533688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).