1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide

About 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 84563698) has the molecular formula C24H34N6O2S and a molecular weight of 470.64 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name	1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID	84563698
Molecular Formula	C24H34N6O2S
Molecular Weight	470.64 g/mol
Exact Mass	470.25
IUPAC Name	1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
SMILES	Cc1nc(NC(=O)CN2CCCC(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)C2)sc1C
InChI	InChI=1S/C24H34N6O2S/c1-17-18(2)33-24(25-17)27-22(31)16-29-10-4-5-19(15-29)23(32)26-20-6-8-21(9-7-20)30-13-11-28(3)12-14-30/h6-9,19H,4-5,10-16H2,1-3H3,(H,26,32)(H,25,27,31)
InChIKey	LWZOVPBZPDXOBC-UHFFFAOYSA-N
XLogP	2.80
TPSA	80.81 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.64
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide?

The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide (CID 84563698) is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide is Cc1nc(NC(=O)CN2CCCC(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)C2)sc1C.

What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide?

The InChIKey is LWZOVPBZPDXOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2S/c1-17-18(2)33-24(25-17)27-22(31)16-29-10-4-5-19(15-29)23(32)26-20-6-8-21(9-7-20)30-13-11-28(3)12-14-30/h6-9,19H,4-5,10-16H2,1-3H3,(H,26,32)(H,25,27,31).

What are the key properties of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide?

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 470.64 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 84563698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).