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

C9H16N2OS — CID 106925908

IUPACN-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
SMILESCCNCC(C)Sc1nc(C)co1
InChIInChI=1S/C9H16N2OS/c1-4-10-5-8(3)13-9-11-7(2)6-12-9/h6,8,10H,4-5H2,1-3H3
InChIKeyRPVRSYBCEAKCBZ-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.07
Rot. Bonds5

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

N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 106925908) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
PubChem CID106925908
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
SMILESCCNCC(C)Sc1nc(C)co1
InChIInChI=1S/C9H16N2OS/c1-4-10-5-8(3)13-9-11-7(2)6-12-9/h6,8,10H,4-5H2,1-3H3
InChIKeyRPVRSYBCEAKCBZ-UHFFFAOYSA-N
XLogP2.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 106925868
N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925841
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925805
2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
CID 106925088
N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927737
2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
CID 106925200
2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine
CID 106924260
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922920
1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine
CID 106922139
(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
CID 106933459
N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
CID 106926566
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922932

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine (CID 106925908) is N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine is CCNCC(C)Sc1nc(C)co1.
What is the InChIKey of N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is RPVRSYBCEAKCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-4-10-5-8(3)13-9-11-7(2)6-12-9/h6,8,10H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine?
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 200.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 106925908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).