4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C20H27N7OS — CID 145104207

IUPAC4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)ON=C1CCN(c2cccc(-c3csc(NC4=NCCCN4)n3)n2)CC1
InChIInChI=1S/C20H27N7OS/c1-14(2)28-26-15-7-11-27(12-8-15)18-6-3-5-16(23-18)17-13-29-20(24-17)25-19-21-9-4-10-22-19/h3,5-6,13-14H,4,7-12H2,1-2H3,(H2,21,22,24,25)
InChIKeyXTTDJKCFNUWWRR-UHFFFAOYSA-N
MW413.55 g/mol
LogP3.35
Rot. Bonds5

About 4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104207) has the molecular formula C20H27N7OS and a molecular weight of 413.55 g/mol. Its IUPAC name is 4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104207
Molecular FormulaC20H27N7OS
Molecular Weight413.55 g/mol
Exact Mass413.20
IUPAC Name4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)ON=C1CCN(c2cccc(-c3csc(NC4=NCCCN4)n3)n2)CC1
InChIInChI=1S/C20H27N7OS/c1-14(2)28-26-15-7-11-27(12-8-15)18-6-3-5-16(23-18)17-13-29-20(24-17)25-19-21-9-4-10-22-19/h3,5-6,13-14H,4,7-12H2,1-2H3,(H2,21,22,24,25)
InChIKeyXTTDJKCFNUWWRR-UHFFFAOYSA-N
XLogP3.35
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105067
4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104104
4-[6-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104925
4-[6-(2-methyl-2-phenylmorpholin-4-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105122
4-[6-[2-(4-chlorophenyl)-2-methylmorpholin-4-yl]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104287
4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104153
N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 145104626
2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]phenol
CID 145104911
4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104830
4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104009
4-(4-methylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104897
tert-butyl 3-[6-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-2-pyridinyl]benzoate
CID 145104888

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104207) is 4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is CC(C)ON=C1CCN(c2cccc(-c3csc(NC4=NCCCN4)n3)n2)CC1.
What is the InChIKey of 4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is XTTDJKCFNUWWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7OS/c1-14(2)28-26-15-7-11-27(12-8-15)18-6-3-5-16(23-18)17-13-29-20(24-17)25-19-21-9-4-10-22-19/h3,5-6,13-14H,4,7-12H2,1-2H3,(H2,21,22,24,25).
What are the key properties of 4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 413.55 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).