2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

C12H20N2S — CID 115066893

IUPAC2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESCC(C)(C)Cc1nc2c(s1)CC(N)CC2
InChIInChI=1S/C12H20N2S/c1-12(2,3)7-11-14-9-5-4-8(13)6-10(9)15-11/h8H,4-7,13H2,1-3H3
InChIKeyCNZYWAACMSVWBS-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.55
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (PubChem CID 115066893) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
PubChem CID115066893
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESCC(C)(C)Cc1nc2c(s1)CC(N)CC2
InChIInChI=1S/C12H20N2S/c1-12(2,3)7-11-14-9-5-4-8(13)6-10(9)15-11/h8H,4-7,13H2,1-3H3
InChIKeyCNZYWAACMSVWBS-UHFFFAOYSA-N
XLogP2.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-prop-2-ynyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 25056344
3-[(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]phenol
CID 115066915
2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine
CID 115870421
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 87189954
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methanesulfinamide
CID 130834312
3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine
CID 82066939
(2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine
CID 121002752
1-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butan-2-amine
CID 62646070
2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 115066888
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide;(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 175005405
2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine
CID 62542565
(2-benzyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine
CID 115003487

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (CID 115066893) is 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is CC(C)(C)Cc1nc2c(s1)CC(N)CC2.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The InChIKey is CNZYWAACMSVWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-12(2,3)7-11-14-9-5-4-8(13)6-10(9)15-11/h8H,4-7,13H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine has a molecular weight of 224.37 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 115066893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).