4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine

C11H13N3S2 — CID 79267623

IUPAC4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1cccc(CSc2sc(N)nc2C)n1
InChIInChI=1S/C11H13N3S2/c1-7-4-3-5-9(13-7)6-15-10-8(2)14-11(12)16-10/h3-5H,6H2,1-2H3,(H2,12,14)
InChIKeyIMWKGWBOROHNRM-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.03
Rot. Bonds3

About 4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine

4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 79267623) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID79267623
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1cccc(CSc2sc(N)nc2C)n1
InChIInChI=1S/C11H13N3S2/c1-7-4-3-5-9(13-7)6-15-10-8(2)14-11(12)16-10/h3-5H,6H2,1-2H3,(H2,12,14)
InChIKeyIMWKGWBOROHNRM-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 62698614
2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 78994270
5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 24690122
5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43250689
4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine
CID 79222133
4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,3-thiazol-2-amine
CID 24700555
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 43250576
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]benzohydrazide
CID 63582368
2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 115465721
5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 114849686
5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 43250452
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-6-nitrobenzoic acid
CID 104825217

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine (CID 79267623) is 4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine is Cc1cccc(CSc2sc(N)nc2C)n1.
What is the InChIKey of 4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is IMWKGWBOROHNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-7-4-3-5-9(13-7)6-15-10-8(2)14-11(12)16-10/h3-5H,6H2,1-2H3,(H2,12,14).
What are the key properties of 4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine?
4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 251.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79267623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).