4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide

C21H21N5O2S — CID 90172696

IUPAC4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(=O)Nc3cnc(-c4ccncc4)s3)cc2)CC1
InChIInChI=1S/C21H21N5O2S/c1-25-10-12-26(13-11-25)21(28)17-4-2-15(3-5-17)19(27)24-18-14-23-20(29-18)16-6-8-22-9-7-16/h2-9,14H,10-13H2,1H3,(H,24,27)
InChIKeyOXCUKLHAVVHIHW-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.85
Rot. Bonds4

About 4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide

4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide (PubChem CID 90172696) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
PubChem CID90172696
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(=O)Nc3cnc(-c4ccncc4)s3)cc2)CC1
InChIInChI=1S/C21H21N5O2S/c1-25-10-12-26(13-11-25)21(28)17-4-2-15(3-5-17)19(27)24-18-14-23-20(29-18)16-6-8-22-9-7-16/h2-9,14H,10-13H2,1H3,(H,24,27)
InChIKeyOXCUKLHAVVHIHW-UHFFFAOYSA-N
XLogP2.85
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
CID 90174299
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 90173853
2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 117085734
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90205745
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046211
(4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone
CID 21336449
N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046120

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide (CID 90172696) is 4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide is CN1CCN(C(=O)c2ccc(C(=O)Nc3cnc(-c4ccncc4)s3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide?
The InChIKey is OXCUKLHAVVHIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-25-10-12-26(13-11-25)21(28)17-4-2-15(3-5-17)19(27)24-18-14-23-20(29-18)16-6-8-22-9-7-16/h2-9,14H,10-13H2,1H3,(H,24,27).
What are the key properties of 4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide?
4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide has a molecular weight of 407.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 90172696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).