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

C9H16N2OS — CID 106927737

IUPACN-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
SMILESCNC(C)C(C)Sc1nc(C)co1
InChIInChI=1S/C9H16N2OS/c1-6-5-12-9(11-6)13-8(3)7(2)10-4/h5,7-8,10H,1-4H3
InChIKeyUSCWKDRCDAQPRQ-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.07
Rot. Bonds4

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

N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine (PubChem CID 106927737) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
PubChem CID106927737
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
SMILESCNC(C)C(C)Sc1nc(C)co1
InChIInChI=1S/C9H16N2OS/c1-6-5-12-9(11-6)13-8(3)7(2)10-4/h5,7-8,10H,1-4H3
InChIKeyUSCWKDRCDAQPRQ-UHFFFAOYSA-N
XLogP2.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
CID 106927798
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925908
N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
CID 64633889
2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
CID 106925200
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922920
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 106925868
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106928501
(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
CID 106933459
1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927779
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922932
1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
CID 106922073
N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106927657

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine?
The IUPAC name of N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine (CID 106927737) is N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine.
What is the SMILES notation for N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine?
The canonical SMILES for N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine is CNC(C)C(C)Sc1nc(C)co1.
What is the InChIKey of N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine?
The InChIKey is USCWKDRCDAQPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6-5-12-9(11-6)13-8(3)7(2)10-4/h5,7-8,10H,1-4H3.
What are the key properties of N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine?
N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine has a molecular weight of 200.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine is sourced from PubChem (CID 106927737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).