2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide

C29H35N5OS — CID 174516364

IUPAC2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide
SMILESCC1=C(C(N)=O)SC(C)N1c1cccc(C(C)CN2CCN(c3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C29H35N5OS/c1-19(23-7-5-8-24(17-23)34-21(3)28(29(30)35)36-22(34)4)18-32-13-15-33(16-14-32)27-10-6-9-26-25(27)12-11-20(2)31-26/h5-12,17,19,22H,13-16,18H2,1-4H3,(H2,30,35)
InChIKeyACHUAQRMTDNEOV-UHFFFAOYSA-N
MW501.70 g/mol
LogP5.08
Rot. Bonds6

About 2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide

2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide (PubChem CID 174516364) has the molecular formula C29H35N5OS and a molecular weight of 501.70 g/mol. Its IUPAC name is 2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide
PubChem CID174516364
Molecular FormulaC29H35N5OS
Molecular Weight501.70 g/mol
Exact Mass501.26
IUPAC Name2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide
SMILESCC1=C(C(N)=O)SC(C)N1c1cccc(C(C)CN2CCN(c3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C29H35N5OS/c1-19(23-7-5-8-24(17-23)34-21(3)28(29(30)35)36-22(34)4)18-32-13-15-33(16-14-32)27-10-6-9-26-25(27)12-11-20(2)31-26/h5-12,17,19,22H,13-16,18H2,1-4H3,(H2,30,35)
InChIKeyACHUAQRMTDNEOV-UHFFFAOYSA-N
XLogP5.08
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.70
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-butan-2-yl-1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea;dihydrochloride
CID 174502193
5-[4-[2-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)phenyl]ethyl]piperazin-1-yl]-2-methylquinoline
CID 86608443
[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl] N-(2-methylpropyl)carbamate
CID 91385750
propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate
CID 57478300
5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one
CID 140510757
6-[1-hydroxy-3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]-4-methyl-3H-1,4-benzoxazin-2-one
CID 68942835
N-methyl-6-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 58064147
5-[4-[2-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)phenyl]ethyl]piperazin-1-yl]-2-methylquinoline
CID 86608442
[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-propylcarbamic acid;dihydrochloride
CID 68869451
benzyl-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamic acid
CID 68868420
5-[4-[2-(3-iodophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 57444355
6-bromo-3-fluoro-2-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenol
CID 58064240

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide (CID 174516364) is 2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide is CC1=C(C(N)=O)SC(C)N1c1cccc(C(C)CN2CCN(c3cccc4nc(C)ccc34)CC2)c1.
What is the InChIKey of 2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide?
The InChIKey is ACHUAQRMTDNEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5OS/c1-19(23-7-5-8-24(17-23)34-21(3)28(29(30)35)36-22(34)4)18-32-13-15-33(16-14-32)27-10-6-9-26-25(27)12-11-20(2)31-26/h5-12,17,19,22H,13-16,18H2,1-4H3,(H2,30,35).
What are the key properties of 2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide?
2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide has a molecular weight of 501.70 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 174516364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).