4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine

C13H13N5S2 — CID 24825879

IUPAC4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(Sc3nccn3C)ccn2)n1
InChIInChI=1S/C13H13N5S2/c1-9-8-19-12(16-9)17-11-7-10(3-4-14-11)20-13-15-5-6-18(13)2/h3-8H,1-2H3,(H,14,16,17)
InChIKeyINZHEQLEAUEDLK-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.47
Rot. Bonds4

About 4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine

4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 24825879) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is 4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID24825879
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC Name4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(Sc3nccn3C)ccn2)n1
InChIInChI=1S/C13H13N5S2/c1-9-8-19-12(16-9)17-11-7-10(3-4-14-11)20-13-15-5-6-18(13)2/h3-8H,1-2H3,(H,14,16,17)
InChIKeyINZHEQLEAUEDLK-UHFFFAOYSA-N
XLogP3.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol
CID 24826425
N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 88907044
2-methyl-4-(1-methylimidazol-2-yl)sulfanylaniline
CID 43436429
4-methyl-N-(4-piperidin-4-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 24826060
2-methyl-4-(1-methylimidazol-2-yl)sulfanylbenzonitrile
CID 81281637
2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole
CID 15077503
4-methyl-3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]benzoic acid;hydrochloride
CID 86634756
[2-bromo-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107280501
1-[4-[2-[[4-(2,6-dimethylphenyl)sulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 163756784
4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine
CID 24826501
N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine
CID 86660052
2-amino-4-(1-methylimidazol-2-yl)sulfanylbenzoic acid
CID 104501095

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine (CID 24825879) is 4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine is Cc1csc(Nc2cc(Sc3nccn3C)ccn2)n1.
What is the InChIKey of 4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is INZHEQLEAUEDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c1-9-8-19-12(16-9)17-11-7-10(3-4-14-11)20-13-15-5-6-18(13)2/h3-8H,1-2H3,(H,14,16,17).
What are the key properties of 4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine?
4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 303.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24825879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).