5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C12H16N4S2 — CID 103364900

IUPAC5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCCc1cccnc1CNc1snc(N)c1SC
InChIInChI=1S/C12H16N4S2/c1-3-8-5-4-6-14-9(8)7-15-12-10(17-2)11(13)16-18-12/h4-6,15H,3,7H2,1-2H3,(H2,13,16)
InChIKeyRYUBGELONKWPKA-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.02
Rot. Bonds5

About 5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103364900) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103364900
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCCc1cccnc1CNc1snc(N)c1SC
InChIInChI=1S/C12H16N4S2/c1-3-8-5-4-6-14-9(8)7-15-12-10(17-2)11(13)16-18-12/h4-6,15H,3,7H2,1-2H3,(H2,13,16)
InChIKeyRYUBGELONKWPKA-UHFFFAOYSA-N
XLogP3.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 82739102
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol
CID 103363776
5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359163
2,3-diethylpyridine
CID 14747123
N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106972962
N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82739373
2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 106890669
N-[(3-ethyl-2-pyridinyl)methyl]-2-methylpyridin-4-amine
CID 113482648
5-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103366044
6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 82733268
4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 82740922
5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82748895

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103364900) is 5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CCc1cccnc1CNc1snc(N)c1SC.
What is the InChIKey of 5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is RYUBGELONKWPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-3-8-5-4-6-14-9(8)7-15-12-10(17-2)11(13)16-18-12/h4-6,15H,3,7H2,1-2H3,(H2,13,16).
What are the key properties of 5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 280.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).