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

C19H21N7OS2 — CID 145104108

IUPAC4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESc1cc(N2CCOCC2)ncc1-c1nc(-c2csc(NC3=NCCCN3)n2)cs1
InChIInChI=1S/C19H21N7OS2/c1-4-20-18(21-5-1)25-19-24-15(12-29-19)14-11-28-17(23-14)13-2-3-16(22-10-13)26-6-8-27-9-7-26/h2-3,10-12H,1,4-9H2,(H2,20,21,24,25)
InChIKeyMKNBIXINRUVHRB-UHFFFAOYSA-N
MW427.56 g/mol
LogP2.93
Rot. Bonds4

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

4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104108) has the molecular formula C19H21N7OS2 and a molecular weight of 427.56 g/mol. Its IUPAC name is 4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104108
Molecular FormulaC19H21N7OS2
Molecular Weight427.56 g/mol
Exact Mass427.12
IUPAC Name4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESc1cc(N2CCOCC2)ncc1-c1nc(-c2csc(NC3=NCCCN3)n2)cs1
InChIInChI=1S/C19H21N7OS2/c1-4-20-18(21-5-1)25-19-24-15(12-29-19)14-11-28-17(23-14)13-2-3-16(22-10-13)26-6-8-27-9-7-26/h2-3,10-12H,1,4-9H2,(H2,20,21,24,25)
InChIKeyMKNBIXINRUVHRB-UHFFFAOYSA-N
XLogP2.93
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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-(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-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105067
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-(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
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
4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
CID 126838147
morpholin-4-yl-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 53145852
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
4-[2-[3-(3-methoxypropoxy)-1-methylpyrazol-5-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104942
N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 122192398
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104108) is 4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is c1cc(N2CCOCC2)ncc1-c1nc(-c2csc(NC3=NCCCN3)n2)cs1.
What is the InChIKey of 4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is MKNBIXINRUVHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS2/c1-4-20-18(21-5-1)25-19-24-15(12-29-19)14-11-28-17(23-14)13-2-3-16(22-10-13)26-6-8-27-9-7-26/h2-3,10-12H,1,4-9H2,(H2,20,21,24,25).
What are the key properties of 4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 427.56 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).