N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C20H24ClN9OS — CID 131989212

IUPACN-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(N3CCN(C)CC3)nc(NN)n2)s1
InChIInChI=1S/C20H24ClN9OS/c1-12-4-3-5-13(21)17(12)27-18(31)14-11-23-20(32-14)25-15-10-16(26-19(24-15)28-22)30-8-6-29(2)7-9-30/h3-5,10-11H,6-9,22H2,1-2H3,(H,27,31)(H2,23,24,25,26,28)
InChIKeyYERAJHOKKHKILV-UHFFFAOYSA-N
MW473.99 g/mol
LogP2.93
Rot. Bonds6

About N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 131989212) has the molecular formula C20H24ClN9OS and a molecular weight of 473.99 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID131989212
Molecular FormulaC20H24ClN9OS
Molecular Weight473.99 g/mol
Exact Mass473.15
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(N3CCN(C)CC3)nc(NN)n2)s1
InChIInChI=1S/C20H24ClN9OS/c1-12-4-3-5-13(21)17(12)27-18(31)14-11-23-20(32-14)25-15-10-16(26-19(24-15)28-22)30-8-6-29(2)7-9-30/h3-5,10-11H,6-9,22H2,1-2H3,(H,27,31)(H2,23,24,25,26,28)
InChIKeyYERAJHOKKHKILV-UHFFFAOYSA-N
XLogP2.93
TPSA124.33 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.99
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 131989212) is N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(N3CCN(C)CC3)nc(NN)n2)s1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is YERAJHOKKHKILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN9OS/c1-12-4-3-5-13(21)17(12)27-18(31)14-11-23-20(32-14)25-15-10-16(26-19(24-15)28-22)30-8-6-29(2)7-9-30/h3-5,10-11H,6-9,22H2,1-2H3,(H,27,31)(H2,23,24,25,26,28).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 473.99 g/mol, XLogP of 2.93, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 131989212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).