N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine

C10H10N2O2S — CID 29068023

IUPACN-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cc2c(cc1NC1=NCCS1)OCO2
InChIInChI=1S/C10H10N2O2S/c1-2-8-9(14-6-13-8)5-7(1)12-10-11-3-4-15-10/h1-2,5H,3-4,6H2,(H,11,12)
InChIKeyWRDSHUAQNMSJGB-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.93
Rot. Bonds1

About N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine

N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 29068023) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID29068023
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cc2c(cc1NC1=NCCS1)OCO2
InChIInChI=1S/C10H10N2O2S/c1-2-8-9(14-6-13-8)5-7(1)12-10-11-3-4-15-10/h1-2,5H,3-4,6H2,(H,11,12)
InChIKeyWRDSHUAQNMSJGB-UHFFFAOYSA-N
XLogP1.93
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068216
N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107614115
N-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
CID 24846782
N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 857457
3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile
CID 29068246
N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2731411
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454339
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454338
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82480840
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164830
N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine
CID 171115396

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 29068023) is N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine is c1cc2c(cc1NC1=NCCS1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WRDSHUAQNMSJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-8-9(14-6-13-8)5-7(1)12-10-11-3-4-15-10/h1-2,5H,3-4,6H2,(H,11,12).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 222.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 29068023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).