N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

C15H17ClN2OS2 — CID 87033767

IUPACN-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCCCc1nc(CSCC(=O)Nc2ccccc2Cl)cs1
InChIInChI=1S/C15H17ClN2OS2/c1-2-5-15-17-11(9-21-15)8-20-10-14(19)18-13-7-4-3-6-12(13)16/h3-4,6-7,9H,2,5,8,10H2,1H3,(H,18,19)
InChIKeyVEPFEYHSWPQOJD-UHFFFAOYSA-N
MW340.90 g/mol
LogP4.62
Rot. Bonds7

About N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (PubChem CID 87033767) has the molecular formula C15H17ClN2OS2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
PubChem CID87033767
Molecular FormulaC15H17ClN2OS2
Molecular Weight340.90 g/mol
Exact Mass340.05
IUPAC NameN-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCCCc1nc(CSCC(=O)Nc2ccccc2Cl)cs1
InChIInChI=1S/C15H17ClN2OS2/c1-2-5-15-17-11(9-21-15)8-20-10-14(19)18-13-7-4-3-6-12(13)16/h3-4,6-7,9H,2,5,8,10H2,1H3,(H,18,19)
InChIKeyVEPFEYHSWPQOJD-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 87033761
N-(2,3-dichlorophenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 46581033
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283813
N-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 34509783
N-(2-chlorophenyl)-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanamide
CID 55629908
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 1265415
N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18168523
N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603565
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
CID 82182296
N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 51111758

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (CID 87033767) is N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is CCCc1nc(CSCC(=O)Nc2ccccc2Cl)cs1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is VEPFEYHSWPQOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS2/c1-2-5-15-17-11(9-21-15)8-20-10-14(19)18-13-7-4-3-6-12(13)16/h3-4,6-7,9H,2,5,8,10H2,1H3,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 340.90 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 87033767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).