N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C21H24N6O2S — CID 71142454

IUPACN-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCNC1(C(C)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1
InChIInChI=1S/C21H24N6O2S/c1-14(28)21(22-2)7-9-27(10-8-21)18-6-4-3-5-16(18)25-19(29)17-13-30-20(26-17)15-11-23-24-12-15/h3-6,11-13,22H,7-10H2,1-2H3,(H,23,24)(H,25,29)
InChIKeyMSZSCZTXBPFLGL-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.93
Rot. Bonds6

About N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71142454) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID71142454
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC NameN-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCNC1(C(C)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1
InChIInChI=1S/C21H24N6O2S/c1-14(28)21(22-2)7-9-27(10-8-21)18-6-4-3-5-16(18)25-19(29)17-13-30-20(26-17)15-11-23-24-12-15/h3-6,11-13,22H,7-10H2,1-2H3,(H,23,24)(H,25,29)
InChIKeyMSZSCZTXBPFLGL-UHFFFAOYSA-N
XLogP2.93
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide
CID 136509988
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 25098058
N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 57335226
2-amino-N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;cyclopentane
CID 143665645
4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide
CID 89272006
2-[4-(hydroxymethyl)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142445
methyl 3-[[4-[[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]carbamoyl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate
CID 24965268
N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142462
2-[3-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142278
N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967893
N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 57334916
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25097003

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 71142454) is N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CNC1(C(C)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.
What is the InChIKey of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MSZSCZTXBPFLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-14(28)21(22-2)7-9-27(10-8-21)18-6-4-3-5-16(18)25-19(29)17-13-30-20(26-17)15-11-23-24-12-15/h3-6,11-13,22H,7-10H2,1-2H3,(H,23,24)(H,25,29).
What are the key properties of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71142454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).