N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide

C14H14ClN3O2S2 — CID 24584497

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C14H14ClN3O2S2/c1-8(22-11-4-2-9(15)3-5-11)13(20)18-14-17-10(7-21-14)6-12(16)19/h2-5,7-8H,6H2,1H3,(H2,16,19)(H,17,18,20)
InChIKeyRFGNPBNZBSHNSV-UHFFFAOYSA-N
MW355.87 g/mol
LogP2.94
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 24584497) has the molecular formula C14H14ClN3O2S2 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide
PubChem CID24584497
Molecular FormulaC14H14ClN3O2S2
Molecular Weight355.87 g/mol
Exact Mass355.02
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C14H14ClN3O2S2/c1-8(22-11-4-2-9(15)3-5-11)13(20)18-14-17-10(7-21-14)6-12(16)19/h2-5,7-8H,6H2,1H3,(H2,16,19)(H,17,18,20)
InChIKeyRFGNPBNZBSHNSV-UHFFFAOYSA-N
XLogP2.94
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)propanamide
CID 51258071
2-(4-aminophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19630104
ethyl 2-[2-(2-phenylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23801603
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
CID 24630482
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 51258070
ethyl 2-[2-[2-[4-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-1,3-thiazol-4-yl]acetate
CID 19713616
2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 24647862
(2S)-2-(4-chlorophenyl)sulfanyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7121110
2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid
CID 45388233
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 23772582
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide (CID 24584497) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1nc(CC(N)=O)cs1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is RFGNPBNZBSHNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S2/c1-8(22-11-4-2-9(15)3-5-11)13(20)18-14-17-10(7-21-14)6-12(16)19/h2-5,7-8H,6H2,1H3,(H2,16,19)(H,17,18,20).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 355.87 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 24584497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).