4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide

C25H28N4O3S — CID 56598840

IUPAC4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1C
InChIInChI=1S/C25H28N4O3S/c1-15-12-19(8-9-21(15)32-4)23(30)26-16(2)17-6-5-7-18(13-17)24(31)28-25-27-20-10-11-29(3)14-22(20)33-25/h5-9,12-13,16H,10-11,14H2,1-4H3,(H,26,30)(H,27,28,31)/t16-/m1/s1
InChIKeyNOGILCBALCKFRT-MRXNPFEDSA-N
MW464.59 g/mol
LogP4.19
Rot. Bonds6

About 4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide

4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide (PubChem CID 56598840) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide
PubChem CID56598840
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1C
InChIInChI=1S/C25H28N4O3S/c1-15-12-19(8-9-21(15)32-4)23(30)26-16(2)17-6-5-7-18(13-17)24(31)28-25-27-20-10-11-29(3)14-22(20)33-25/h5-9,12-13,16H,10-11,14H2,1-4H3,(H,26,30)(H,27,28,31)/t16-/m1/s1
InChIKeyNOGILCBALCKFRT-MRXNPFEDSA-N
XLogP4.19
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-({[(4-methoxybenzoyl)amino]carbothioyl}amino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 1000196
3,4-dimethoxy-N-{(R)-1-[3-((S)-6-propylamino-4,5,6,7-tetrahydro-benzothiazol-2-ylcarbamoyl)-phenyl]-ethyl}-benzamide
CID 56597183
3-chloro-4-methoxy-N-[(1R)-1-[3-[[(6S)-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]ethyl]benzamide
CID 56597184
4-methoxy-3-methyl-N-[(1R)-1-[3-[[(6S)-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]ethyl]benzamide
CID 88561625
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)butan-2-yl]benzamide
CID 2478586
3-methoxy-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}benzamide
CID 3944789
N-(4-(2-((4-fluorobenzyl)amino)-2-oxoethyl)thiazol-2-yl)-4-methoxybenzamide
CID 18567955
4-methoxy-N-(4-(2-oxo-2-(phenethylamino)ethyl)thiazol-2-yl)benzamide
CID 18567960
4-methoxy-N-(4-(2-((3-methoxyphenethyl)amino)-2-oxoethyl)thiazol-2-yl)benzamide
CID 18567974
3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 56597320
3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 56597321
3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 56597322

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide?
The IUPAC name of 4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide (CID 56598840) is 4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide is COc1ccc(C(=O)N[C@H](C)c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide?
The InChIKey is NOGILCBALCKFRT-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-15-12-19(8-9-21(15)32-4)23(30)26-16(2)17-6-5-7-18(13-17)24(31)28-25-27-20-10-11-29(3)14-22(20)33-25/h5-9,12-13,16H,10-11,14H2,1-4H3,(H,26,30)(H,27,28,31)/t16-/m1/s1.
What are the key properties of 4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide?
4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide has a molecular weight of 464.59 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 56598840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).