2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile

C12H10N6S3 — CID 89090653

IUPAC2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile
SMILESCSc1c(C#N)c(N)nc(SCc2csc(N)n2)c1C#N
InChIInChI=1S/C12H10N6S3/c1-19-9-7(2-13)10(15)18-11(8(9)3-14)20-4-6-5-21-12(16)17-6/h5H,4H2,1H3,(H2,15,18)(H2,16,17)
InChIKeyDMNYGMDLFSHAPE-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.46
Rot. Bonds4

About 2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile

2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 89090653) has the molecular formula C12H10N6S3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID89090653
Molecular FormulaC12H10N6S3
Molecular Weight334.46 g/mol
Exact Mass334.01
IUPAC Name2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile
SMILESCSc1c(C#N)c(N)nc(SCc2csc(N)n2)c1C#N
InChIInChI=1S/C12H10N6S3/c1-19-9-7(2-13)10(15)18-11(8(9)3-14)20-4-6-5-21-12(16)17-6/h5H,4H2,1H3,(H2,15,18)(H2,16,17)
InChIKeyDMNYGMDLFSHAPE-UHFFFAOYSA-N
XLogP2.46
TPSA125.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 143534778
2-amino-4-(2,3-dihydro-1-benzofuran-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 23540297
2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-piperidin-1-ylpyridine-3,5-dicarbonitrile
CID 24968474
2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 24830466
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 66228739
2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol
CID 143196948
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 89229589
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 89229641
4,6-dimethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 4858805
6-amino-4-cyclohexyl-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-5-isocyanopyridine-3-carbonitrile
CID 59161020
5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 60712716
4-amino-6-benzylsulfanyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 135005337

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile (CID 89090653) is 2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile is CSc1c(C#N)c(N)nc(SCc2csc(N)n2)c1C#N.
What is the InChIKey of 2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is DMNYGMDLFSHAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6S3/c1-19-9-7(2-13)10(15)18-11(8(9)3-14)20-4-6-5-21-12(16)17-6/h5H,4H2,1H3,(H2,15,18)(H2,16,17).
What are the key properties of 2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 334.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-4-methylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 89090653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).