N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide

C24H26N6O4S — CID 155589624

IUPACN-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide
SMILESC=CC(=O)N1CCOCC1C(=O)NCCOc1cc(Nc2ncc(-c3ccccc3)s2)nc(C)n1
InChIInChI=1S/C24H26N6O4S/c1-3-22(31)30-10-12-33-15-18(30)23(32)25-9-11-34-21-13-20(27-16(2)28-21)29-24-26-14-19(35-24)17-7-5-4-6-8-17/h3-8,13-14,18H,1,9-12,15H2,2H3,(H,25,32)(H,26,27,28,29)
InChIKeyLWBPUNQHXVYEQW-UHFFFAOYSA-N
MW494.58 g/mol
LogP2.56
Rot. Bonds9

About N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide

N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide (PubChem CID 155589624) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide
PubChem CID155589624
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC NameN-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide
SMILESC=CC(=O)N1CCOCC1C(=O)NCCOc1cc(Nc2ncc(-c3ccccc3)s2)nc(C)n1
InChIInChI=1S/C24H26N6O4S/c1-3-22(31)30-10-12-33-15-18(30)23(32)25-9-11-34-21-13-20(27-16(2)28-21)29-24-26-14-19(35-24)17-7-5-4-6-8-17/h3-8,13-14,18H,1,9-12,15H2,2H3,(H,25,32)(H,26,27,28,29)
InChIKeyLWBPUNQHXVYEQW-UHFFFAOYSA-N
XLogP2.56
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 137355957
N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 137355958
N-(2-methyl-6-piperidin-4-yloxypyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine
CID 10021889
5-phenyl-N-[6-(piperidin-4-ylmethoxy)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 10316904
Tert-butyl 4-[[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylate
CID 10412299
5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine
CID 10428163
Tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 10434072
4-[5-[3-Methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]-1,4-diazepan-2-one
CID 53251708
[4-[6-(2-Methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 66748024
(2-Benzyl-1,3-thiazol-4-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 66748259
N-(4-ethoxypyrimidin-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 68778492
Tert-butyl 4-{[2-({3-methyl-5-[2-(3-oxo-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]phenyl}amino)pyrimidin-4-yl]oxy}piperidine-1-carboxylate
CID 71074837

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide?
The IUPAC name of N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide (CID 155589624) is N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide.
What is the SMILES notation for N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide?
The canonical SMILES for N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide is C=CC(=O)N1CCOCC1C(=O)NCCOc1cc(Nc2ncc(-c3ccccc3)s2)nc(C)n1.
What is the InChIKey of N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide?
The InChIKey is LWBPUNQHXVYEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-3-22(31)30-10-12-33-15-18(30)23(32)25-9-11-34-21-13-20(27-16(2)28-21)29-24-26-14-19(35-24)17-7-5-4-6-8-17/h3-8,13-14,18H,1,9-12,15H2,2H3,(H,25,32)(H,26,27,28,29).
What are the key properties of N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide?
N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide is sourced from PubChem (CID 155589624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).