N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine

C12H18N4OS — CID 106926566

IUPACN-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Sc1nc(C)co1
InChIInChI=1S/C12H18N4OS/c1-5-13-6-10-9(3)15-16(4)11(10)18-12-14-8(2)7-17-12/h7,13H,5-6H2,1-4H3
InChIKeyXAYMXRAXQWUWAN-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.29
Rot. Bonds5

About N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine

N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine (PubChem CID 106926566) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
PubChem CID106926566
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Sc1nc(C)co1
InChIInChI=1S/C12H18N4OS/c1-5-13-6-10-9(3)15-16(4)11(10)18-12-14-8(2)7-17-12/h7,13H,5-6H2,1-4H3
InChIKeyXAYMXRAXQWUWAN-UHFFFAOYSA-N
XLogP2.29
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
CID 63809837
N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 55239461
N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 107783199
N-[[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 63807556
N-[[1,3-dimethyl-5-(4-nitrophenyl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 63809238
N-[[1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-yl]methyl]ethanamine
CID 63814686
1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
CID 106926425
methyl 3-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanylpropanoate
CID 55238491
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63808969
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925908
2-[1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-yl]sulfanylpropan-1-ol
CID 113374003
N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 63808426

Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine (CID 106926566) is N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1Sc1nc(C)co1.
What is the InChIKey of N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine?
The InChIKey is XAYMXRAXQWUWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-5-13-6-10-9(3)15-16(4)11(10)18-12-14-8(2)7-17-12/h7,13H,5-6H2,1-4H3.
What are the key properties of N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine?
N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine has a molecular weight of 266.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106926566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).