N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide

C19H18N2O3S2 — CID 2476607

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CSc3ccccc3)n2)c1
InChIInChI=1S/C19H18N2O3S2/c1-23-13-8-9-17(24-2)15(10-13)16-11-26-19(20-16)21-18(22)12-25-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyICMCJKMFUQYCEE-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.56
Rot. Bonds7

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide (PubChem CID 2476607) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
PubChem CID2476607
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CSc3ccccc3)n2)c1
InChIInChI=1S/C19H18N2O3S2/c1-23-13-8-9-17(24-2)15(10-13)16-11-26-19(20-16)21-18(22)12-25-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyICMCJKMFUQYCEE-UHFFFAOYSA-N
XLogP4.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

T16AInh-A01
CID 135460621
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N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
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CID 25100440
1-[4-(3-Propan-2-yloxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
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6-[[2-[5-(2-Fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide (CID 2476607) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide is COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccccc3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide?
The InChIKey is ICMCJKMFUQYCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-23-13-8-9-17(24-2)15(10-13)16-11-26-19(20-16)21-18(22)12-25-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,21,22).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide has a molecular weight of 386.50 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 2476607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).