N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide

C23H20N4O3S — CID 86945498

IUPACN-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccccc1N(C)C(=O)c1ccco1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C23H20N4O3S/c1-15(22-26-18(14-31-22)16-9-11-24-12-10-16)25-21(28)17-6-3-4-7-19(17)27(2)23(29)20-8-5-13-30-20/h3-15H,1-2H3,(H,25,28)
InChIKeyRKBVXDZXZXFQRF-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.57
Rot. Bonds6

About N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide

N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 86945498) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID86945498
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccccc1N(C)C(=O)c1ccco1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C23H20N4O3S/c1-15(22-26-18(14-31-22)16-9-11-24-12-10-16)25-21(28)17-6-3-4-7-19(17)27(2)23(29)20-8-5-13-30-20/h3-15H,1-2H3,(H,25,28)
InChIKeyRKBVXDZXZXFQRF-UHFFFAOYSA-N
XLogP4.57
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 95760159
N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide
CID 86969023
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide
CID 146094803
N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 120653478
N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 119643351
N-[1-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 53112536
N-[2-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 56783808
2-(3-phenylpropylsulfonyl)-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 86933068
3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119250065
2-[(4-chlorophenyl)methylcarbamoylamino]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 86935950
N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119591706
3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 86945459

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide (CID 86945498) is N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide is CC(NC(=O)c1ccccc1N(C)C(=O)c1ccco1)c1nc(-c2ccncc2)cs1.
What is the InChIKey of N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is RKBVXDZXZXFQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-15(22-26-18(14-31-22)16-9-11-24-12-10-16)25-21(28)17-6-3-4-7-19(17)27(2)23(29)20-8-5-13-30-20/h3-15H,1-2H3,(H,25,28).
What are the key properties of N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86945498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).