N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide

C17H15N3O3S2 — CID 25283053

IUPACN-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C17H15N3O3S2/c1-18-13(21)10-24-17-19-14(11-6-3-2-4-7-11)16(25-17)20-15(22)12-8-5-9-23-12/h2-9H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeySAVFDFADOWTFIJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.49
Rot. Bonds6

About N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide

N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide (PubChem CID 25283053) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
PubChem CID25283053
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC NameN-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C17H15N3O3S2/c1-18-13(21)10-24-17-19-14(11-6-3-2-4-7-11)16(25-17)20-15(22)12-8-5-9-23-12/h2-9H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeySAVFDFADOWTFIJ-UHFFFAOYSA-N
XLogP3.49
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide
CID 25282897
N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 25283056
N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide
CID 25283011
N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 163347744
N-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 154810998
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868533
N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 34924459
N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868500
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 2993149
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 35345756

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide (CID 25283053) is N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide is CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide?
The InChIKey is SAVFDFADOWTFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-18-13(21)10-24-17-19-14(11-6-3-2-4-7-11)16(25-17)20-15(22)12-8-5-9-23-12/h2-9H,10H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide?
N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 25283053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).