N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide

C24H28N8O2S — CID 126511342

IUPACN-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCN(c2nc3cc(N4CCCCC4)c(NC(=O)c4csc(-c5ccn[nH]5)n4)cc3o2)CC1
InChIInChI=1S/C24H28N8O2S/c1-30-9-11-32(12-10-30)24-28-18-13-20(31-7-3-2-4-8-31)17(14-21(18)34-24)26-22(33)19-15-35-23(27-19)16-5-6-25-29-16/h5-6,13-15H,2-4,7-12H2,1H3,(H,25,29)(H,26,33)
InChIKeyHEXQPQPPRIRALE-UHFFFAOYSA-N
MW492.61 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide

N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 126511342) has the molecular formula C24H28N8O2S and a molecular weight of 492.61 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID126511342
Molecular FormulaC24H28N8O2S
Molecular Weight492.61 g/mol
Exact Mass492.21
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCN(c2nc3cc(N4CCCCC4)c(NC(=O)c4csc(-c5ccn[nH]5)n4)cc3o2)CC1
InChIInChI=1S/C24H28N8O2S/c1-30-9-11-32(12-10-30)24-28-18-13-20(31-7-3-2-4-8-31)17(14-21(18)34-24)26-22(33)19-15-35-23(27-19)16-5-6-25-29-16/h5-6,13-15H,2-4,7-12H2,1H3,(H,25,29)(H,26,33)
InChIKeyHEXQPQPPRIRALE-UHFFFAOYSA-N
XLogP3.67
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide
CID 146614797
N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 126511290
2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 82670099
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 90072520
6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide
CID 151398245
3-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-2H-1,3-thiazole-4-carboxamide
CID 146563015
N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 137371002
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 24675937
2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide
CID 137370782
fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine
CID 144595370
N-[4-(2-morpholin-4-ylethylamino)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 137370909
2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 72725546

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 126511342) is N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is CN1CCN(c2nc3cc(N4CCCCC4)c(NC(=O)c4csc(-c5ccn[nH]5)n4)cc3o2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HEXQPQPPRIRALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S/c1-30-9-11-32(12-10-30)24-28-18-13-20(31-7-3-2-4-8-31)17(14-21(18)34-24)26-22(33)19-15-35-23(27-19)16-5-6-25-29-16/h5-6,13-15H,2-4,7-12H2,1H3,(H,25,29)(H,26,33).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 492.61 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126511342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).