2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide

C23H23N7O2S — CID 89060895

IUPAC2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2cccnc2)sc1NC(=O)C1=CC=C(NCCc2ccncc2)CC1
InChIInChI=1S/C23H23N7O2S/c24-20(31)19-22(33-23(29-19)28-18-2-1-10-26-14-18)30-21(32)16-3-5-17(6-4-16)27-13-9-15-7-11-25-12-8-15/h1-3,5,7-8,10-12,14,27H,4,6,9,13H2,(H2,24,31)(H,28,29)(H,30,32)
InChIKeyBIKWTAQDGTZVNT-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.15
Rot. Bonds9

About 2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide

2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 89060895) has the molecular formula C23H23N7O2S and a molecular weight of 461.55 g/mol. Its IUPAC name is 2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID89060895
Molecular FormulaC23H23N7O2S
Molecular Weight461.55 g/mol
Exact Mass461.16
IUPAC Name2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2cccnc2)sc1NC(=O)C1=CC=C(NCCc2ccncc2)CC1
InChIInChI=1S/C23H23N7O2S/c24-20(31)19-22(33-23(29-19)28-18-2-1-10-26-14-18)30-21(32)16-3-5-17(6-4-16)27-13-9-15-7-11-25-12-8-15/h1-3,5,7-8,10-12,14,27H,4,6,9,13H2,(H2,24,31)(H,28,29)(H,30,32)
InChIKeyBIKWTAQDGTZVNT-UHFFFAOYSA-N
XLogP3.15
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride
CID 87521619
5-[(4-acetamidocyclohexa-1,3-diene-1-carbonyl)amino]-2-(2,3-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 89060905
2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 118062665
5-[[4-[2-(1,2-dihydropyridin-4-yl)ethylamino]benzoyl]amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 89060896
5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 46234817
4-acetamido-N-[2-(2,6-dimethylanilino)-4-phosphanylcarbonyl-1,3-thiazol-5-yl]cyclohexa-1,3-diene-1-carboxamide
CID 91211307
5-[[4-[(2-hydroxyethylamino)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062272
3-(2-pyridin-4-ylethylamino)benzamide
CID 107811285
4-(propan-2-ylsulfanylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide
CID 89215031
5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 174704062
2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 17250847
4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 44621369

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide (CID 89060895) is 2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2cccnc2)sc1NC(=O)C1=CC=C(NCCc2ccncc2)CC1.
What is the InChIKey of 2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is BIKWTAQDGTZVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2S/c24-20(31)19-22(33-23(29-19)28-18-2-1-10-26-14-18)30-21(32)16-3-5-17(6-4-16)27-13-9-15-7-11-25-12-8-15/h1-3,5,7-8,10-12,14,27H,4,6,9,13H2,(H2,24,31)(H,28,29)(H,30,32).
What are the key properties of 2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide?
2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 3.15, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylamino)-5-[[4-(2-pyridin-4-ylethylamino)cyclohexa-1,3-diene-1-carbonyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 89060895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).