N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide

C19H19N3O3S — CID 17451180

IUPACN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccco3)n2)cc1
InChIInChI=1S/C19H19N3O3S/c1-13(23)20-11-14-4-6-15(7-5-14)17-12-26-19(21-17)22-18(24)9-8-16-3-2-10-25-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyNEAQKYZJBNOQEJ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.61
Rot. Bonds7

About N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide (PubChem CID 17451180) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide
PubChem CID17451180
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccco3)n2)cc1
InChIInChI=1S/C19H19N3O3S/c1-13(23)20-11-14-4-6-15(7-5-14)17-12-26-19(21-17)22-18(24)9-8-16-3-2-10-25-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyNEAQKYZJBNOQEJ-UHFFFAOYSA-N
XLogP3.61
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)ethyl)acetamide
CID 44581368
N-(3-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 647705
Furan-2-carboxylic acid (tetrahydro-furan-2-ylmethyl)-(4-p-tolyl-thiazol-2-yl)-amide
CID 648656
N-Furan-2-ylmethyl-N-(4-phenyl-thiazol-2-yl)-propionamide
CID 651338
Furan-2-ylmethyl-[4-(4-methoxy-phenyl)-thiazol-2-yl]-amine
CID 652138
N-Furan-2-ylmethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 862712
N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine
CID 886954
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]furan-2-carboxamide
CID 887512
N-(4-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 972496
Thiophene-2-carboxylic acid furan-2-ylmethyl-(4-p-tolyl-thiazol-2-yl)-amide
CID 1175951
(E)-3-(furan-2-yl)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
CID 1299088
3-(2-furyl)-N-({[4-(2-naphthyl)-1,3-thiazol-2-yl]amino}carbonothioyl)acrylamide
CID 1326118

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide (CID 17451180) is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccco3)n2)cc1.
What is the InChIKey of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide?
The InChIKey is NEAQKYZJBNOQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13(23)20-11-14-4-6-15(7-5-14)17-12-26-19(21-17)22-18(24)9-8-16-3-2-10-25-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide?
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide has a molecular weight of 369.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 17451180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).