4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine

C15H17N7S — CID 75434688

IUPAC4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESNc1ccc2c(N3CCCN(c4nccs4)CC3)ncnc2n1
InChIInChI=1S/C15H17N7S/c16-12-3-2-11-13(20-12)18-10-19-14(11)21-5-1-6-22(8-7-21)15-17-4-9-23-15/h2-4,9-10H,1,5-8H2,(H2,16,18,19,20)
InChIKeyXZJOMWGWIHMBRD-UHFFFAOYSA-N
MW327.42 g/mol
LogP1.78
Rot. Bonds2

About 4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine

4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine (PubChem CID 75434688) has the molecular formula C15H17N7S and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine
PubChem CID75434688
Molecular FormulaC15H17N7S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC Name4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESNc1ccc2c(N3CCCN(c4nccs4)CC3)ncnc2n1
InChIInChI=1S/C15H17N7S/c16-12-3-2-11-13(20-12)18-10-19-14(11)21-5-1-6-22(8-7-21)15-17-4-9-23-15/h2-4,9-10H,1,5-8H2,(H2,16,18,19,20)
InChIKeyXZJOMWGWIHMBRD-UHFFFAOYSA-N
XLogP1.78
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine with MolForge

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Related Compounds

[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone
CID 133408843
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133408361
5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80754526
4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408246
5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80757343
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol
CID 166307195
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407155
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407726
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407178
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133409016
4-methyl-6-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrimidin-2-amine
CID 47419492

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine (CID 75434688) is 4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine is Nc1ccc2c(N3CCCN(c4nccs4)CC3)ncnc2n1.
What is the InChIKey of 4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is XZJOMWGWIHMBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7S/c16-12-3-2-11-13(20-12)18-10-19-14(11)21-5-1-6-22(8-7-21)15-17-4-9-23-15/h2-4,9-10H,1,5-8H2,(H2,16,18,19,20).
What are the key properties of 4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 327.42 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 75434688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).