5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine

C11H13N3S2 — CID 115735816

IUPAC5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCSc1ccc(NCc2csc(C)n2)nc1
InChIInChI=1S/C11H13N3S2/c1-8-14-9(7-16-8)5-12-11-4-3-10(15-2)6-13-11/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyVACQIXVTFLOKHJ-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.18
Rot. Bonds4

About 5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine

5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (PubChem CID 115735816) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
PubChem CID115735816
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCSc1ccc(NCc2csc(C)n2)nc1
InChIInChI=1S/C11H13N3S2/c1-8-14-9(7-16-8)5-12-11-4-3-10(15-2)6-13-11/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyVACQIXVTFLOKHJ-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methylsulfanyl-N-(thiadiazol-4-ylmethyl)pyridin-2-amine
CID 115908362
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780796
N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine
CID 115735843
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
CID 47292925
5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115773935
6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80808044
2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807957
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride
CID 115592208
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390820
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (CID 115735816) is 5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is CSc1ccc(NCc2csc(C)n2)nc1.
What is the InChIKey of 5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is VACQIXVTFLOKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-8-14-9(7-16-8)5-12-11-4-3-10(15-2)6-13-11/h3-4,6-7H,5H2,1-2H3,(H,12,13).
What are the key properties of 5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 251.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 115735816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).