2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide

C21H22ClN5O3S — CID 45101171

IUPAC2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccc(Cl)cc2)sc1Nc1cccc(C(CO)N2CCOCC2)n1
InChIInChI=1S/C21H22ClN5O3S/c22-14-6-4-13(5-7-14)20-26-18(19(23)29)21(31-20)25-17-3-1-2-15(24-17)16(12-28)27-8-10-30-11-9-27/h1-7,16,28H,8-12H2,(H2,23,29)(H,24,25)
InChIKeyXIUKNJSDRAHFBP-UHFFFAOYSA-N
MW459.96 g/mol
LogP3.07
Rot. Bonds7

About 2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 45101171) has the molecular formula C21H22ClN5O3S and a molecular weight of 459.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID45101171
Molecular FormulaC21H22ClN5O3S
Molecular Weight459.96 g/mol
Exact Mass459.11
IUPAC Name2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccc(Cl)cc2)sc1Nc1cccc(C(CO)N2CCOCC2)n1
InChIInChI=1S/C21H22ClN5O3S/c22-14-6-4-13(5-7-14)20-26-18(19(23)29)21(31-20)25-17-3-1-2-15(24-17)16(12-28)27-8-10-30-11-9-27/h1-7,16,28H,8-12H2,(H2,23,29)(H,24,25)
InChIKeyXIUKNJSDRAHFBP-UHFFFAOYSA-N
XLogP3.07
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(1R)-2-hydroxy-1-morpholin-4-ylethyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68670939
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 119867125
2-morpholin-4-yl-2-pyridin-2-ylethanol
CID 91095032
5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 174704062
1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774
5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59526270
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
3-chloro-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 25268697
(5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone
CID 13162445
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 42919324
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide
CID 25124468

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide (CID 45101171) is 2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2ccc(Cl)cc2)sc1Nc1cccc(C(CO)N2CCOCC2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is XIUKNJSDRAHFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3S/c22-14-6-4-13(5-7-14)20-26-18(19(23)29)21(31-20)25-17-3-1-2-15(24-17)16(12-28)27-8-10-30-11-9-27/h1-7,16,28H,8-12H2,(H2,23,29)(H,24,25).
What are the key properties of 2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 459.96 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45101171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).