N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine

C16H14N6S — CID 90720982

IUPACN'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine
SMILES[H]/N=C(/CC=Nc1sc(-c2cccnc2)nc1C)c1ncccn1
InChIInChI=1S/C16H14N6S/c1-11-15(23-16(22-11)12-4-2-6-18-10-12)21-9-5-13(17)14-19-7-3-8-20-14/h2-4,6-10,17H,5H2,1H3/b17-13-,21-9?
InChIKeyLHRVTPIRRLMQGO-QOXSFRATSA-N
MW322.40 g/mol
LogP3.46
Rot. Bonds5

About N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine

N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine (PubChem CID 90720982) has the molecular formula C16H14N6S and a molecular weight of 322.40 g/mol. Its IUPAC name is N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine.

Molecular Properties

Compound NameN'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine
PubChem CID90720982
Molecular FormulaC16H14N6S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC NameN'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine
SMILES[H]/N=C(/CC=Nc1sc(-c2cccnc2)nc1C)c1ncccn1
InChIInChI=1S/C16H14N6S/c1-11-15(23-16(22-11)12-4-2-6-18-10-12)21-9-5-13(17)14-19-7-3-8-20-14/h2-4,6-10,17H,5H2,1H3/b17-13-,21-9?
InChIKeyLHRVTPIRRLMQGO-QOXSFRATSA-N
XLogP3.46
TPSA87.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide
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1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416122
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
CID 116885240
6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine
CID 89348710
(E)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
CID 90440045
2-pyridin-3-yl-1,3-thiazole-5-carboximidamide
CID 82422642
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 143129382

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine?
The IUPAC name of N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine (CID 90720982) is N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine.
What is the SMILES notation for N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine?
The canonical SMILES for N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine is [H]/N=C(/CC=Nc1sc(-c2cccnc2)nc1C)c1ncccn1.
What is the InChIKey of N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine?
The InChIKey is LHRVTPIRRLMQGO-QOXSFRATSA-N. The full InChI is InChI=1S/C16H14N6S/c1-11-15(23-16(22-11)12-4-2-6-18-10-12)21-9-5-13(17)14-19-7-3-8-20-14/h2-4,6-10,17H,5H2,1H3/b17-13-,21-9?.
What are the key properties of N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine?
N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine has a molecular weight of 322.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine is sourced from PubChem (CID 90720982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).