4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole

C19H17N7S — CID 59759781

IUPAC4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole
SMILES[C-]#[N+]c1cccnc1-c1ncsc1Cc1ncn2nc(C)nc2c1CCC
InChIInChI=1S/C19H17N7S/c1-4-6-13-15(22-10-26-19(13)24-12(2)25-26)9-16-18(23-11-27-16)17-14(20-3)7-5-8-21-17/h5,7-8,10-11H,4,6,9H2,1-2H3
InChIKeyOQEFXHUFSKECBH-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.05
Rot. Bonds5

About 4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole

4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole (PubChem CID 59759781) has the molecular formula C19H17N7S and a molecular weight of 375.46 g/mol. Its IUPAC name is 4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole
PubChem CID59759781
Molecular FormulaC19H17N7S
Molecular Weight375.46 g/mol
Exact Mass375.13
IUPAC Name4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole
SMILES[C-]#[N+]c1cccnc1-c1ncsc1Cc1ncn2nc(C)nc2c1CCC
InChIInChI=1S/C19H17N7S/c1-4-6-13-15(22-10-26-19(13)24-12(2)25-26)9-16-18(23-11-27-16)17-14(20-3)7-5-8-21-17/h5,7-8,10-11H,4,6,9H2,1-2H3
InChIKeyOQEFXHUFSKECBH-UHFFFAOYSA-N
XLogP4.05
TPSA73.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

Sgx-523
CID 24779724
Adipiplon
CID 11198924
TH1020
CID 124203921
Imidazopyridine 10f
CID 5329345
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
2-(3-Benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 2816136
2-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1,3-thiazole
CID 91245989
US10399985, Example 28
CID 118278095
US10399985, Example 16
CID 118278207

Frequently Asked Questions

What is the IUPAC name of 4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole (CID 59759781) is 4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole is [C-]#[N+]c1cccnc1-c1ncsc1Cc1ncn2nc(C)nc2c1CCC.
What is the InChIKey of 4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole?
The InChIKey is OQEFXHUFSKECBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7S/c1-4-6-13-15(22-10-26-19(13)24-12(2)25-26)9-16-18(23-11-27-16)17-14(20-3)7-5-8-21-17/h5,7-8,10-11H,4,6,9H2,1-2H3.
What are the key properties of 4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole?
4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole has a molecular weight of 375.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 59759781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).