N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide

C18H18ClN5O2S — CID 11200510

IUPACN-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCO)n2)s1
InChIInChI=1S/C18H18ClN5O2S/c1-11-4-2-5-12(19)16(11)24-17(26)13-10-21-18(27-13)23-15-7-3-6-14(22-15)20-8-9-25/h2-7,10,25H,8-9H2,1H3,(H,24,26)(H2,20,21,22,23)
InChIKeyHLEQFFPIXAPVEP-UHFFFAOYSA-N
MW403.90 g/mol
LogP3.90
Rot. Bonds7

About N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 11200510) has the molecular formula C18H18ClN5O2S and a molecular weight of 403.90 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID11200510
Molecular FormulaC18H18ClN5O2S
Molecular Weight403.90 g/mol
Exact Mass403.09
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCO)n2)s1
InChIInChI=1S/C18H18ClN5O2S/c1-11-4-2-5-12(19)16(11)24-17(26)13-10-21-18(27-13)23-15-7-3-6-14(22-15)20-8-9-25/h2-7,10,25H,8-9H2,1H3,(H,24,26)(H2,20,21,22,23)
InChIKeyHLEQFFPIXAPVEP-UHFFFAOYSA-N
XLogP3.90
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide (CID 11200510) is N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCO)n2)s1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is HLEQFFPIXAPVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2S/c1-11-4-2-5-12(19)16(11)24-17(26)13-10-21-18(27-13)23-15-7-3-6-14(22-15)20-8-9-25/h2-7,10,25H,8-9H2,1H3,(H,24,26)(H2,20,21,22,23).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 403.90 g/mol, XLogP of 3.90, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11200510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).