5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine

C14H20N2OS — CID 82549880

IUPAC5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine
SMILESCC(C)Oc1cc2sc(N)nc2cc1C(C)(C)C
InChIInChI=1S/C14H20N2OS/c1-8(2)17-11-7-12-10(16-13(15)18-12)6-9(11)14(3,4)5/h6-8H,1-5H3,(H2,15,16)
InChIKeyOEQNUGNRMPFBSW-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.96
Rot. Bonds2

About 5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine

5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine (PubChem CID 82549880) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine
PubChem CID82549880
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine
SMILESCC(C)Oc1cc2sc(N)nc2cc1C(C)(C)C
InChIInChI=1S/C14H20N2OS/c1-8(2)17-11-7-12-10(16-13(15)18-12)6-9(11)14(3,4)5/h6-8H,1-5H3,(H2,15,16)
InChIKeyOEQNUGNRMPFBSW-UHFFFAOYSA-N
XLogP3.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine
CID 22975278
5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82548876
5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 87877149
5,6-bis(3-chloropropoxy)-1,3-benzothiazol-2-amine
CID 87533400
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
2-amino-1,3-benzothiazole-5,6-diol
CID 13158929
methyl 2,6-diamino-1,3-benzothiazole-5-carboxylate
CID 84725218
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366
6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 118961463
5-(1-bromoethyl)-1,3-benzothiazol-2-amine
CID 21401463
6-chloro-5-ethyl-1,3-benzothiazol-2-amine
CID 170435006
2-propan-2-yloxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 65348925

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine?
The IUPAC name of 5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine (CID 82549880) is 5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine is CC(C)Oc1cc2sc(N)nc2cc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine?
The InChIKey is OEQNUGNRMPFBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-8(2)17-11-7-12-10(16-13(15)18-12)6-9(11)14(3,4)5/h6-8H,1-5H3,(H2,15,16).
What are the key properties of 5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine?
5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).