N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine

C12H15N3OS — CID 103520170

IUPACN-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine
SMILESCCNc1ccnc(CSc2nc(C)co2)c1
InChIInChI=1S/C12H15N3OS/c1-3-13-10-4-5-14-11(6-10)8-17-12-15-9(2)7-16-12/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyFNXXLHOBCBBSHQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.10
Rot. Bonds5

About N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine

N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine (PubChem CID 103520170) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine
PubChem CID103520170
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine
SMILESCCNc1ccnc(CSc2nc(C)co2)c1
InChIInChI=1S/C12H15N3OS/c1-3-13-10-4-5-14-11(6-10)8-17-12-15-9(2)7-16-12/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyFNXXLHOBCBBSHQ-UHFFFAOYSA-N
XLogP3.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol
CID 79259711
2-(butylsulfanylmethyl)-N-ethylpyridin-4-amine
CID 79260438
3-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]-2-methylpropan-1-ol
CID 79260088
2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine
CID 79259813
N-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-2-nitroaniline
CID 106925582
6-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 106925597
N-ethyl-2-[(5-methylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79251899
2-(ethoxymethyl)-N-ethylpyridin-4-amine
CID 79251240
1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one
CID 79250857
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine
CID 79259982
2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 99825795
2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzonitrile
CID 103520188

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine (CID 103520170) is N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine is CCNc1ccnc(CSc2nc(C)co2)c1.
What is the InChIKey of N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine?
The InChIKey is FNXXLHOBCBBSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-13-10-4-5-14-11(6-10)8-17-12-15-9(2)7-16-12/h4-7H,3,8H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine?
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine is sourced from PubChem (CID 103520170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).