N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide

C20H20N4O3S — CID 97317188

IUPACN-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)c1
InChIInChI=1S/C20H20N4O3S/c1-12(22-13(2)25)14-4-6-15(7-5-14)18-11-28-20(23-18)24-19(26)17-10-16(27-3)8-9-21-17/h4-12H,1-3H3,(H,22,25)(H,23,24,26)/t12-/m0/s1
InChIKeyPUIRVOAGDDCWKA-LBPRGKRZSA-N
MW396.47 g/mol
LogP3.66
Rot. Bonds6

About N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide

N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide (PubChem CID 97317188) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide
PubChem CID97317188
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)c1
InChIInChI=1S/C20H20N4O3S/c1-12(22-13(2)25)14-4-6-15(7-5-14)18-11-28-20(23-18)24-19(26)17-10-16(27-3)8-9-21-17/h4-12H,1-3H3,(H,22,25)(H,23,24,26)/t12-/m0/s1
InChIKeyPUIRVOAGDDCWKA-LBPRGKRZSA-N
XLogP3.66
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methane;4-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 158194768
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 55435009
(E)-N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 55435010
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide
CID 55434069
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 42375876
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 46668786
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55791811
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 17435792
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 121061476
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 55434940
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylbenzamide
CID 55667953

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide (CID 97317188) is N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)c1.
What is the InChIKey of N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide?
The InChIKey is PUIRVOAGDDCWKA-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-12(22-13(2)25)14-4-6-15(7-5-14)18-11-28-20(23-18)24-19(26)17-10-16(27-3)8-9-21-17/h4-12H,1-3H3,(H,22,25)(H,23,24,26)/t12-/m0/s1.
What are the key properties of N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide?
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 97317188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).