N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide

C19H16N2O2S2 — CID 4113625

IUPACN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2
InChIInChI=1S/C19H16N2O2S2/c22-17(10-11-24-13-6-2-1-3-7-13)20-19-21-18-14-8-4-5-9-15(14)23-12-16(18)25-19/h1-9H,10-12H2,(H,20,21,22)
InChIKeyUGLVJBVJMMOFHN-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.82
Rot. Bonds5

About N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide (PubChem CID 4113625) has the molecular formula C19H16N2O2S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide
PubChem CID4113625
Molecular FormulaC19H16N2O2S2
Molecular Weight368.48 g/mol
Exact Mass368.07
IUPAC NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2
InChIInChI=1S/C19H16N2O2S2/c22-17(10-11-24-13-6-2-1-3-7-13)20-19-21-18-14-8-4-5-9-15(14)23-12-16(18)25-19/h1-9H,10-12H2,(H,20,21,22)
InChIKeyUGLVJBVJMMOFHN-UHFFFAOYSA-N
XLogP4.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide (CID 4113625) is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide?
The InChIKey is UGLVJBVJMMOFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S2/c22-17(10-11-24-13-6-2-1-3-7-13)20-19-21-18-14-8-4-5-9-15(14)23-12-16(18)25-19/h1-9H,10-12H2,(H,20,21,22).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide?
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide has a molecular weight of 368.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 4113625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).