N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide

C19H19N3O2S — CID 167791803

IUPACN-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide
SMILESCOc1ccc(Nc2ccc(NC(=O)CCc3cncs3)cc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-24-17-8-6-15(7-9-17)21-14-2-4-16(5-3-14)22-19(23)11-10-18-12-20-13-25-18/h2-9,12-13,21H,10-11H2,1H3,(H,22,23)
InChIKeyKYPDNXDLQFOSKF-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.47
Rot. Bonds7

About N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide

N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide (PubChem CID 167791803) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide
PubChem CID167791803
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide
SMILESCOc1ccc(Nc2ccc(NC(=O)CCc3cncs3)cc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-24-17-8-6-15(7-9-17)21-14-2-4-16(5-3-14)22-19(23)11-10-18-12-20-13-25-18/h2-9,12-13,21H,10-11H2,1H3,(H,22,23)
InChIKeyKYPDNXDLQFOSKF-UHFFFAOYSA-N
XLogP4.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158
2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 13013378
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methylthiophen-2-yl)propanamide
CID 122287135
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 27377127
3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide
CID 112532794
3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide
CID 59152264
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide (CID 167791803) is N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide is COc1ccc(Nc2ccc(NC(=O)CCc3cncs3)cc2)cc1.
What is the InChIKey of N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide?
The InChIKey is KYPDNXDLQFOSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-24-17-8-6-15(7-9-17)21-14-2-4-16(5-3-14)22-19(23)11-10-18-12-20-13-25-18/h2-9,12-13,21H,10-11H2,1H3,(H,22,23).
What are the key properties of N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide?
N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide has a molecular weight of 353.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 167791803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).