N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine

C9H8N4S — CID 145104957

IUPACN-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine
SMILESC=Nc1nc(-c2ccnc(C)n2)cs1
InChIInChI=1S/C9H8N4S/c1-6-11-4-3-7(12-6)8-5-14-9(10-2)13-8/h3-5H,2H2,1H3
InChIKeyWJUFPGCQDSCBGH-UHFFFAOYSA-N
MW204.26 g/mol
LogP2.24
Rot. Bonds2

About N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine

N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine (PubChem CID 145104957) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine.

Molecular Properties

Compound NameN-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine
PubChem CID145104957
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC NameN-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine
SMILESC=Nc1nc(-c2ccnc(C)n2)cs1
InChIInChI=1S/C9H8N4S/c1-6-11-4-3-7(12-6)8-5-14-9(10-2)13-8/h3-5H,2H2,1H3
InChIKeyWJUFPGCQDSCBGH-UHFFFAOYSA-N
XLogP2.24
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine
CID 174183177
2-methyl-4-pyrimidin-4-ylpyrimidine
CID 54062248
2-methyl-4-(2-methyl-4-pyridinyl)pyrimidine
CID 71302575
[3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol
CID 145104306
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde
CID 115528201
1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine
CID 145104170
2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 115531309
2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
CID 115527374
2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole
CID 131029013
3-(2-methylpyrimidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137012896
4-(5-hexylthiophen-2-yl)-2-methylpyrimidine
CID 118281567
N-[4-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine
CID 145104389

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine?
The IUPAC name of N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine (CID 145104957) is N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine.
What is the SMILES notation for N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine?
The canonical SMILES for N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine is C=Nc1nc(-c2ccnc(C)n2)cs1.
What is the InChIKey of N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine?
The InChIKey is WJUFPGCQDSCBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c1-6-11-4-3-7(12-6)8-5-14-9(10-2)13-8/h3-5H,2H2,1H3.
What are the key properties of N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine?
N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine has a molecular weight of 204.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine is sourced from PubChem (CID 145104957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).