2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile

C15H11N3S — CID 116867246

IUPAC2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile
SMILESCNc1nc(-c2cccc3ccccc23)c(C#N)s1
InChIInChI=1S/C15H11N3S/c1-17-15-18-14(13(9-16)19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,17,18)
InChIKeyMKKFOVBVABKAOK-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.88
Rot. Bonds2

About 2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile

2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile (PubChem CID 116867246) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile
PubChem CID116867246
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile
SMILESCNc1nc(-c2cccc3ccccc23)c(C#N)s1
InChIInChI=1S/C15H11N3S/c1-17-15-18-14(13(9-16)19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,17,18)
InChIKeyMKKFOVBVABKAOK-UHFFFAOYSA-N
XLogP3.88
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile
CID 116867149
4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile
CID 116867209
2-naphthalen-1-ylthiophene-3-carbonitrile
CID 11770428
2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile
CID 116867225
potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate
CID 159653077
2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80970250
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-(methylamino)naphthalene-2-carbonitrile
CID 134243586

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile (CID 116867246) is 2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile is CNc1nc(-c2cccc3ccccc23)c(C#N)s1.
What is the InChIKey of 2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile?
The InChIKey is MKKFOVBVABKAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-17-15-18-14(13(9-16)19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,17,18).
What are the key properties of 2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile?
2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile has a molecular weight of 265.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 116867246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).