N-(2-chloro-6-methylphenyl)-2-(6-(3-morpholinopropylamino)pyridin-2-ylamino)-1,3-thiazole-5-carboxamide

C23H27ClN6O2S — CID 11283174

IUPACN-(2-chloro-6-methylphenyl)-2-[[6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
SMILESCC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC=CC(=N3)NCCCN4CCOCC4
InChIInChI=1S/C23H27ClN6O2S/c1-16-5-2-6-17(24)21(16)29-22(31)18-15-26-23(33-18)28-20-8-3-7-19(27-20)25-9-4-10-30-11-13-32-14-12-30/h2-3,5-8,15H,4,9-14H2,1H3,(H,29,31)(H2,25,26,27,28)
InChIKeyVRDHUYBHXDZLDI-UHFFFAOYSA-N
MW487.00 g/mol
LogP4.60
Rot. Bonds9

About N-(2-chloro-6-methylphenyl)-2-(6-(3-morpholinopropylamino)pyridin-2-ylamino)-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-(6-(3-morpholinopropylamino)pyridin-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 11283174) has the molecular formula C23H27ClN6O2S and a molecular weight of 487.00 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-(6-(3-morpholinopropylamino)pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID11283174
Molecular FormulaC23H27ClN6O2S
Molecular Weight487.00 g/mol
Exact Mass486.16
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
SMILESCC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC=CC(=N3)NCCCN4CCOCC4
InChIInChI=1S/C23H27ClN6O2S/c1-16-5-2-6-17(24)21(16)29-22(31)18-15-26-23(33-18)28-20-8-3-7-19(27-20)25-9-4-10-30-11-13-32-14-12-30/h2-3,5-8,15H,4,9-14H2,1H3,(H,29,31)(H2,25,26,27,28)
InChIKeyVRDHUYBHXDZLDI-UHFFFAOYSA-N
XLogP4.60
TPSA120.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity614

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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N-(2-chloro-6-methylphenyl)-2-(6-(4-(hydroxymethyl)piperidin-1-yl)-2-methylpyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
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N-(2-Chloro-6-methylphenyl)-2-(2-methyl-6-(3-morpholinopropyl)-pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
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N-(2-chloro-6-methylphenyl)-2-(6-morpholinopyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 11487256
N-(2-chloro-6-methylphenyl)-2-[(6-methylpyridin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 21911345
N-(2-chloro-6-methylphenyl)-2-[(4-methylpyridin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 21911623
Dasatinib Monohydrate
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2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-(6-(3-morpholinopropylamino)pyridin-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-(6-(3-morpholinopropylamino)pyridin-2-ylamino)-1,3-thiazole-5-carboxamide (CID 11283174) is N-(2-chloro-6-methylphenyl)-2-[[6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-(6-(3-morpholinopropylamino)pyridin-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-(6-(3-morpholinopropylamino)pyridin-2-ylamino)-1,3-thiazole-5-carboxamide is CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC=CC(=N3)NCCCN4CCOCC4.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-(6-(3-morpholinopropylamino)pyridin-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is VRDHUYBHXDZLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O2S/c1-16-5-2-6-17(24)21(16)29-22(31)18-15-26-23(33-18)28-20-8-3-7-19(27-20)25-9-4-10-30-11-13-32-14-12-30/h2-3,5-8,15H,4,9-14H2,1H3,(H,29,31)(H2,25,26,27,28).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-(6-(3-morpholinopropylamino)pyridin-2-ylamino)-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-(6-(3-morpholinopropylamino)pyridin-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 487.00 g/mol, XLogP of 4.60, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-(6-(3-morpholinopropylamino)pyridin-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11283174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).