3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile

C10H9N3S — CID 29068246

IUPAC3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile
SMILESN#Cc1cccc(NC2=NCCS2)c1
InChIInChI=1S/C10H9N3S/c11-7-8-2-1-3-9(6-8)13-10-12-4-5-14-10/h1-3,6H,4-5H2,(H,12,13)
InChIKeyRMYRZRUHGBXNPC-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.07
Rot. Bonds1

About 3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile

3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile (PubChem CID 29068246) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile
PubChem CID29068246
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile
SMILESN#Cc1cccc(NC2=NCCS2)c1
InChIInChI=1S/C10H9N3S/c11-7-8-2-1-3-9(6-8)13-10-12-4-5-14-10/h1-3,6H,4-5H2,(H,12,13)
InChIKeyRMYRZRUHGBXNPC-UHFFFAOYSA-N
XLogP2.07
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dihydro-1,3-thiazol-2-ylamino)-4-methylbenzonitrile
CID 62103967
3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 2635778
N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 5169811
N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068023
N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 7303198
N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 28878465
N-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
CID 24846782
3-(sulfanylamino)benzonitrile
CID 142255367
3-[(6-anilinopyrimidin-4-yl)amino]benzonitrile
CID 112864808
3-(1,4-dihydroquinazolin-2-ylamino)benzonitrile;hydroiodide
CID 141150788
3-hydrazinylbenzonitrile chloride
CID 18677448
4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid
CID 126478304

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile?
The IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile (CID 29068246) is 3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile.
What is the SMILES notation for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile?
The canonical SMILES for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile is N#Cc1cccc(NC2=NCCS2)c1.
What is the InChIKey of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile?
The InChIKey is RMYRZRUHGBXNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c11-7-8-2-1-3-9(6-8)13-10-12-4-5-14-10/h1-3,6H,4-5H2,(H,12,13).
What are the key properties of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile?
3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile has a molecular weight of 203.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile is sourced from PubChem (CID 29068246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).