N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine

C15H14N2S — CID 11436742

IUPACN-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(C)c3cccccc2-3)cs1
InChIInChI=1S/C15H14N2S/c1-10-8-13(14-9-18-15(16-2)17-14)12-7-5-3-4-6-11(10)12/h3-9H,1-2H3,(H,16,17)
InChIKeyFXDRZSZRWWNLBH-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.27
Rot. Bonds2

About N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine

N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine (PubChem CID 11436742) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
PubChem CID11436742
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(C)c3cccccc2-3)cs1
InChIInChI=1S/C15H14N2S/c1-10-8-13(14-9-18-15(16-2)17-14)12-7-5-3-4-6-11(10)12/h3-9H,1-2H3,(H,16,17)
InChIKeyFXDRZSZRWWNLBH-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-benzylideneamino]-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11393768
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11404462
methyl 3-[2-(methylamino)-1,3-thiazol-4-yl]azulene-1-carboxylate
CID 11254998
N-methyl-4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-amine
CID 83801577
[2-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]methanol
CID 88788468
N-methyl-4-[2-[2-[2-[2-(methylamino)-1,3-thiazol-4-yl]phenoxy]ethoxy]phenyl]-1,3-thiazol-2-amine
CID 139228012
N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82447779
N-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 60642187
N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82448433
4-(6-chloro-2-methylquinolin-4-yl)-N-methyl-1,3-thiazol-2-amine
CID 82449132
(3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 7924768

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine (CID 11436742) is N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine is CNc1nc(-c2cc(C)c3cccccc2-3)cs1.
What is the InChIKey of N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine?
The InChIKey is FXDRZSZRWWNLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-10-8-13(14-9-18-15(16-2)17-14)12-7-5-3-4-6-11(10)12/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine?
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine has a molecular weight of 254.36 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 11436742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).