N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine

C12H16N2S — CID 168757730

IUPACN-tert-butyl-N-methyl-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccccc2s1)C(C)(C)C
InChIInChI=1S/C12H16N2S/c1-12(2,3)14(4)11-13-9-7-5-6-8-10(9)15-11/h5-8H,1-4H3
InChIKeyROMKXPUTTNXAJU-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.53
Rot. Bonds1

About N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine

N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 168757730) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-1,3-benzothiazol-2-amine
PubChem CID168757730
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-tert-butyl-N-methyl-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccccc2s1)C(C)(C)C
InChIInChI=1S/C12H16N2S/c1-12(2,3)14(4)11-13-9-7-5-6-8-10(9)15-11/h5-8H,1-4H3
InChIKeyROMKXPUTTNXAJU-UHFFFAOYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 63392267
N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 133398444
4-N-(1,3-benzothiazol-2-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 166918017
1-N-(1,3-benzothiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 54940995
N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 145410692
2-[2-(1,3-benzothiazol-2-yl)propan-2-yl]-1,3-benzothiazole
CID 11781873
N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 37144332
methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamodithioate
CID 804828
N-[4-[4-[N-(1,3-benzothiazol-2-yl)-4-phenylanilino]phenyl]phenyl]-N-(4-phenylphenyl)-1,3-benzothiazol-2-amine
CID 176587430
1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride
CID 175170156
methyl N-amino-N-(1,3-benzothiazol-2-yl)carbamate
CID 77174878
N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
CID 143176372

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine (CID 168757730) is N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine is CN(c1nc2ccccc2s1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is ROMKXPUTTNXAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-12(2,3)14(4)11-13-9-7-5-6-8-10(9)15-11/h5-8H,1-4H3.
What are the key properties of N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine?
N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 168757730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).