2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate

C20H22ClN3O4S — CID 150565599

IUPAC2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate
SMILESCC(=O)OCCc1csc(NC(=O)Nc2ccc(Cl)cc2C(=O)C2CCCC2)n1
InChIInChI=1S/C20H22ClN3O4S/c1-12(25)28-9-8-15-11-29-20(22-15)24-19(27)23-17-7-6-14(21)10-16(17)18(26)13-4-2-3-5-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H2,22,23,24,27)
InChIKeyIKTSECNAKGDHPW-UHFFFAOYSA-N
MW435.93 g/mol
LogP4.92
Rot. Bonds7

About 2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate

2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate (PubChem CID 150565599) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate.

Molecular Properties

Compound Name2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate
PubChem CID150565599
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate
SMILESCC(=O)OCCc1csc(NC(=O)Nc2ccc(Cl)cc2C(=O)C2CCCC2)n1
InChIInChI=1S/C20H22ClN3O4S/c1-12(25)28-9-8-15-11-29-20(22-15)24-19(27)23-17-7-6-14(21)10-16(17)18(26)13-4-2-3-5-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H2,22,23,24,27)
InChIKeyIKTSECNAKGDHPW-UHFFFAOYSA-N
XLogP4.92
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea
CID 59732910
methyl 2-[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]ethylamino]acetate
CID 59732809
CID 147791967
CID 147791967
1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea
CID 87230265
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-[4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfanyl]ethyl]-1,3-thiazol-2-yl]urea
CID 88966550
methyl 3-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfamoyl]propanoate
CID 59732833
chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium
CID 142846291
N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide
CID 10868327
1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea
CID 159846664
[5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium
CID 59732985
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 28803745
[4-[1-[[4-(2-acetyloxyethyl)-1,3-thiazol-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]phenyl]methanesulfinic acid
CID 174382058

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate?
The IUPAC name of 2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate (CID 150565599) is 2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate.
What is the SMILES notation for 2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate?
The canonical SMILES for 2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate is CC(=O)OCCc1csc(NC(=O)Nc2ccc(Cl)cc2C(=O)C2CCCC2)n1.
What is the InChIKey of 2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate?
The InChIKey is IKTSECNAKGDHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-12(25)28-9-8-15-11-29-20(22-15)24-19(27)23-17-7-6-14(21)10-16(17)18(26)13-4-2-3-5-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H2,22,23,24,27).
What are the key properties of 2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate?
2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate has a molecular weight of 435.93 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate is sourced from PubChem (CID 150565599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).