N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide

C23H28ClN7O2S — CID 130301150

IUPACN-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide
SMILESCC1=NC(N2CCN(CCO)CC2)=CC(=NNc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)C1
InChIInChI=1S/C23H28ClN7O2S/c1-15-4-3-5-18(24)21(15)27-22(33)19-14-25-23(34-19)29-28-17-12-16(2)26-20(13-17)31-8-6-30(7-9-31)10-11-32/h3-5,13-14,32H,6-12H2,1-2H3,(H,25,29)(H,27,33)
InChIKeySFQIIVMLXKSXGJ-UHFFFAOYSA-N
MW502.04 g/mol
LogP3.44
Rot. Bonds7

About N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide (PubChem CID 130301150) has the molecular formula C23H28ClN7O2S and a molecular weight of 502.04 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide
PubChem CID130301150
Molecular FormulaC23H28ClN7O2S
Molecular Weight502.04 g/mol
Exact Mass501.17
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide
SMILESCC1=NC(N2CCN(CCO)CC2)=CC(=NNc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)C1
InChIInChI=1S/C23H28ClN7O2S/c1-15-4-3-5-18(24)21(15)27-22(33)19-14-25-23(34-19)29-28-17-12-16(2)26-20(13-17)31-8-6-30(7-9-31)10-11-32/h3-5,13-14,32H,6-12H2,1-2H3,(H,25,29)(H,27,33)
InChIKeySFQIIVMLXKSXGJ-UHFFFAOYSA-N
XLogP3.44
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.04
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide (CID 130301150) is N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide is CC1=NC(N2CCN(CCO)CC2)=CC(=NNc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)C1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SFQIIVMLXKSXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN7O2S/c1-15-4-3-5-18(24)21(15)27-22(33)19-14-25-23(34-19)29-28-17-12-16(2)26-20(13-17)31-8-6-30(7-9-31)10-11-32/h3-5,13-14,32H,6-12H2,1-2H3,(H,25,29)(H,27,33).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 502.04 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3H-pyridin-4-ylidene]hydrazinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 130301150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).