5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride

C21H24ClN7O2S — CID 87521619

IUPAC5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nc(Nc2cccnc2)sc1NC(=O)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C21H23N7O2S.ClH/c22-18(29)17-20(31-21(26-17)25-16-2-1-7-24-12-16)27-19(30)15-5-3-14(4-6-15)13-28-10-8-23-9-11-28;/h1-7,12,23H,8-11,13H2,(H2,22,29)(H,25,26)(H,27,30);1H
InChIKeyCLADFUKIYQRZJC-UHFFFAOYSA-N
MW473.99 g/mol
LogP2.46
Rot. Bonds7

About 5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride

5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 87521619) has the molecular formula C21H24ClN7O2S and a molecular weight of 473.99 g/mol. Its IUPAC name is 5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID87521619
Molecular FormulaC21H24ClN7O2S
Molecular Weight473.99 g/mol
Exact Mass473.14
IUPAC Name5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nc(Nc2cccnc2)sc1NC(=O)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C21H23N7O2S.ClH/c22-18(29)17-20(31-21(26-17)25-16-2-1-7-24-12-16)27-19(30)15-5-3-14(4-6-15)13-28-10-8-23-9-11-28;/h1-7,12,23H,8-11,13H2,(H2,22,29)(H,25,26)(H,27,30);1H
InChIKeyCLADFUKIYQRZJC-UHFFFAOYSA-N
XLogP2.46
TPSA125.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.99
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(naphthalen-2-ylamino)-5-[[4-[(3-oxopiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 118061973
2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide
CID 89060895
tert-butyl 2-[(3R)-1-[[4-[[4-carbamoyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]carbamoyl]phenyl]methyl]pyrrolidin-3-yl]acetate
CID 160932956
5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118067709
5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 46234817
N-methyl-4-(piperazin-1-ylmethyl)benzamide
CID 82166251
5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118067712
2-piperazin-1-yl-N-pyridin-3-ylacetamide;hydrochloride
CID 156595313
tert-butyl 4-[[4-[(4-carbamoyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxylate
CID 71061211
5-[[4-[(2-hydroxyethylamino)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062272
5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide
CID 46234659
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide
CID 43921733

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride (CID 87521619) is 5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NC(=O)c1nc(Nc2cccnc2)sc1NC(=O)c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is CLADFUKIYQRZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2S.ClH/c22-18(29)17-20(31-21(26-17)25-16-2-1-7-24-12-16)27-19(30)15-5-3-14(4-6-15)13-28-10-8-23-9-11-28;/h1-7,12,23H,8-11,13H2,(H2,22,29)(H,25,26)(H,27,30);1H.
What are the key properties of 5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride?
5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 473.99 g/mol, XLogP of 2.46, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 87521619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).