4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine

C13H10N2OS — CID 134891896

IUPAC4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2c(C)c1-c1nccs1
InChIInChI=1S/C13H10N2OS/c1-8-9-4-2-3-5-10(9)16-12(14)11(8)13-15-6-7-17-13/h2-7,14H,1H3/b14-12-
InChIKeyGAMWLCYHNJKIRQ-OWBHPGMISA-N
MW242.30 g/mol
LogP3.34
Rot. Bonds1

About 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine

4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine (PubChem CID 134891896) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine.

Molecular Properties

Compound Name4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine
PubChem CID134891896
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2c(C)c1-c1nccs1
InChIInChI=1S/C13H10N2OS/c1-8-9-4-2-3-5-10(9)16-12(14)11(8)13-15-6-7-17-13/h2-7,14H,1H3/b14-12-
InChIKeyGAMWLCYHNJKIRQ-OWBHPGMISA-N
XLogP3.34
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl-[3-(naphthalen-1-yloxy)-3-thiazol-2-yl-propyl]-amine
CID 15015316
(E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512250
(Z)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369023
1-(2-(2-Ethoxyphenyl)-1-(thiazol-2-yl)ethyl)piperazine
CID 44414731
3-(3-(Thiazol-2-ylmethoxy)phenyl)propan-1-amine
CID 25256315
N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177654835
N'-methyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177655824
3-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine
CID 134867970
3-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one
CID 134912142
Thiazolylcoumarin
CID 21856046
4-Butoxyphenyl thiazole
CID 59143748
Bisthiazolylcoumarin
CID 123296227

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine?
The IUPAC name of 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine (CID 134891896) is 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine.
What is the SMILES notation for 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine?
The canonical SMILES for 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine is [H]/N=c1\oc2ccccc2c(C)c1-c1nccs1.
What is the InChIKey of 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine?
The InChIKey is GAMWLCYHNJKIRQ-OWBHPGMISA-N. The full InChI is InChI=1S/C13H10N2OS/c1-8-9-4-2-3-5-10(9)16-12(14)11(8)13-15-6-7-17-13/h2-7,14H,1H3/b14-12-.
What are the key properties of 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine?
4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine has a molecular weight of 242.30 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-imine is sourced from PubChem (CID 134891896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).