ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine

C12H19N3S — CID 142222190

IUPACethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine
SMILESCC.CCNc1ccc2sc(NC)nc2c1
InChIInChI=1S/C10H13N3S.C2H6/c1-3-12-7-4-5-9-8(6-7)13-10(11-2)14-9;1-2/h4-6,12H,3H2,1-2H3,(H,11,13);1-2H3
InChIKeyPUUXNTUKTOUBPG-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.80
Rot. Bonds3

About ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine

ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine (PubChem CID 142222190) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine.

Molecular Properties

Compound Nameethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine
PubChem CID142222190
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Nameethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine
SMILESCC.CCNc1ccc2sc(NC)nc2c1
InChIInChI=1S/C10H13N3S.C2H6/c1-3-12-7-4-5-9-8(6-7)13-10(11-2)14-9;1-2/h4-6,12H,3H2,1-2H3,(H,11,13);1-2H3
InChIKeyPUUXNTUKTOUBPG-UHFFFAOYSA-N
XLogP3.80
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-1,3-benzothiazole-5-carboxylic acid
CID 18377605
2-methyl-N-propyl-1,3-benzothiazol-5-amine
CID 82672114
2-(ethylamino)-N-hydroxy-1,3-benzothiazol-5-amine oxide
CID 163117789
N-(2-fluoroethyl)-5-[4-(methylamino)phenyl]-1,3-benzothiazol-2-amine;hydrochloride
CID 87302219
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine
CID 140867450
6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine
CID 89039662
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]propanamide
CID 50882223
N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 20971871
5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine
CID 82549231
6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine
CID 82549197
2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide
CID 43566527

Frequently Asked Questions

What is the IUPAC name of ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine?
The IUPAC name of ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine (CID 142222190) is ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine.
What is the SMILES notation for ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine?
The canonical SMILES for ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine is CC.CCNc1ccc2sc(NC)nc2c1.
What is the InChIKey of ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine?
The InChIKey is PUUXNTUKTOUBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S.C2H6/c1-3-12-7-4-5-9-8(6-7)13-10(11-2)14-9;1-2/h4-6,12H,3H2,1-2H3,(H,11,13);1-2H3.
What are the key properties of ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine?
ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine has a molecular weight of 237.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine is sourced from PubChem (CID 142222190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).