ethane;7-propan-2-yl-1,3-benzothiazol-2-amine

C12H18N2S — CID 167552566

IUPACethane;7-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC.CC(C)c1cccc2nc(N)sc12
InChIInChI=1S/C10H12N2S.C2H6/c1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;1-2/h3-6H,1-2H3,(H2,11,12);1-2H3
InChIKeyCPCXZZZBZFMTPR-UHFFFAOYSA-N
MW222.36 g/mol
LogP4.03
Rot. Bonds1

About ethane;7-propan-2-yl-1,3-benzothiazol-2-amine

ethane;7-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 167552566) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is ethane;7-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Nameethane;7-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID167552566
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Nameethane;7-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC.CC(C)c1cccc2nc(N)sc12
InChIInChI=1S/C10H12N2S.C2H6/c1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;1-2/h3-6H,1-2H3,(H2,11,12);1-2H3
InChIKeyCPCXZZZBZFMTPR-UHFFFAOYSA-N
XLogP4.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;7-methyl-1,3-benzothiazol-2-amine
CID 145229786
ethane;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole
CID 167627604
2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol
CID 83897316
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CID 176651591
2-amino-5,7-di(propan-2-yl)-1,3-benzothiazole-6-carbonitrile
CID 177282982
2,7-di(propan-2-yl)-1-benzothiophene
CID 176624114
2,4-di(propan-2-yl)-1,3-benzothiazole;thiohydroxylamine
CID 19850946
3,8-di(propan-2-yl)quinolin-2-amine
CID 63231952
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine
CID 22975278
4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine
CID 62066653
4-propan-2-ylacridine
CID 87209750

Frequently Asked Questions

What is the IUPAC name of ethane;7-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of ethane;7-propan-2-yl-1,3-benzothiazol-2-amine (CID 167552566) is ethane;7-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for ethane;7-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for ethane;7-propan-2-yl-1,3-benzothiazol-2-amine is CC.CC(C)c1cccc2nc(N)sc12.
What is the InChIKey of ethane;7-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is CPCXZZZBZFMTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.C2H6/c1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;1-2/h3-6H,1-2H3,(H2,11,12);1-2H3.
What are the key properties of ethane;7-propan-2-yl-1,3-benzothiazol-2-amine?
ethane;7-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 222.36 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 167552566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).