4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine

C18H18FN7S — CID 144865575

IUPAC4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ncc(F)c3nc(N=C4CCC5(CC4)CC5)sc23)ncn1
InChIInChI=1S/C18H18FN7S/c19-11-8-21-16(25-13-7-12(20)22-9-23-13)15-14(11)26-17(27-15)24-10-1-3-18(4-2-10)5-6-18/h7-9H,1-6H2,(H3,20,21,22,23,25)
InChIKeyHMTNUNXWRHHXJN-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.37
Rot. Bonds3

About 4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine

4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine (PubChem CID 144865575) has the molecular formula C18H18FN7S and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
PubChem CID144865575
Molecular FormulaC18H18FN7S
Molecular Weight383.46 g/mol
Exact Mass383.13
IUPAC Name4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ncc(F)c3nc(N=C4CCC5(CC4)CC5)sc23)ncn1
InChIInChI=1S/C18H18FN7S/c19-11-8-21-16(25-13-7-12(20)22-9-23-13)15-14(11)26-17(27-15)24-10-1-3-18(4-2-10)5-6-18/h7-9H,1-6H2,(H3,20,21,22,23,25)
InChIKeyHMTNUNXWRHHXJN-UHFFFAOYSA-N
XLogP4.37
TPSA101.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine;4-N-[7-fluoro-2-[(3S)-3-methylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 160994213
4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile
CID 123263940
2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine
CID 123936101
2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile
CID 150436397
4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 118178371
1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide
CID 118173941
4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine
CID 172624248
1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile
CID 123349690
4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 123889336
4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 66807105
4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760577
4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine
CID 80755229

Frequently Asked Questions

What is the IUPAC name of 4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine (CID 144865575) is 4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine is Nc1cc(Nc2ncc(F)c3nc(N=C4CCC5(CC4)CC5)sc23)ncn1.
What is the InChIKey of 4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is HMTNUNXWRHHXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7S/c19-11-8-21-16(25-13-7-12(20)22-9-23-13)15-14(11)26-17(27-15)24-10-1-3-18(4-2-10)5-6-18/h7-9H,1-6H2,(H3,20,21,22,23,25).
What are the key properties of 4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 383.46 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 144865575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).