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

C9H10N2OS — CID 165440037

IUPACN-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine
SMILESCc1conc1CNc1ccsc1
InChIInChI=1S/C9H10N2OS/c1-7-5-12-11-9(7)4-10-8-2-3-13-6-8/h2-3,5-6,10H,4H2,1H3
InChIKeyQGWKYSGTGBBYQU-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.66
Rot. Bonds3

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

N-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine (PubChem CID 165440037) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine
PubChem CID165440037
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine
SMILESCc1conc1CNc1ccsc1
InChIInChI=1S/C9H10N2OS/c1-7-5-12-11-9(7)4-10-8-2-3-13-6-8/h2-3,5-6,10H,4H2,1H3
InChIKeyQGWKYSGTGBBYQU-UHFFFAOYSA-N
XLogP2.66
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]thiophen-3-amine
CID 112650234
4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline
CID 138014482
N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine
CID 66349713
N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine
CID 130575723
2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
CID 66352322
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804
N-[(5-phenyl-2H-triazol-4-yl)methyl]thiophen-3-amine
CID 66351237
N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
CID 106816916
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine
CID 112669078
N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine
CID 66350553
N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine
CID 66353002
N-(2-fluoroethyl)thiophen-3-amine
CID 80697712

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine?
The IUPAC name of N-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine (CID 165440037) is N-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine is Cc1conc1CNc1ccsc1.
What is the InChIKey of N-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine?
The InChIKey is QGWKYSGTGBBYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-7-5-12-11-9(7)4-10-8-2-3-13-6-8/h2-3,5-6,10H,4H2,1H3.
What are the key properties of N-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine?
N-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine has a molecular weight of 194.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2-oxazol-3-yl)methyl]thiophen-3-amine is sourced from PubChem (CID 165440037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).