N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine

C16H16N2S — CID 2360618

IUPACN-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
SMILESCC(C)c1ccc(Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H16N2S/c1-11(2)12-7-9-13(10-8-12)17-16-18-14-5-3-4-6-15(14)19-16/h3-11H,1-2H3,(H,17,18)
InChIKeyMQBUFHMBMYWOHP-UHFFFAOYSA-N
MW268.38 g/mol
LogP5.16
Rot. Bonds3

About N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine

N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 2360618) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
PubChem CID2360618
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
SMILESCC(C)c1ccc(Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H16N2S/c1-11(2)12-7-9-13(10-8-12)17-16-18-14-5-3-4-6-15(14)19-16/h3-11H,1-2H3,(H,17,18)
InChIKeyMQBUFHMBMYWOHP-UHFFFAOYSA-N
XLogP5.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.38
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-chloro-2-ethylbutyl)phenyl]-1,3-benzothiazol-2-amine
CID 22603053
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine
CID 139826141
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 79528250
(E)-N-(1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 960157
5-bromo-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 43307054
N-[1-(4-bromophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 60658936
(2S)-2-[[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-chlorobenzoyl]amino]-3-methylbutanoic acid
CID 11511327
2-N-(3-propan-2-ylphenyl)-1,3-benzothiazole-2,6-diamine
CID 63402912
N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 25239704

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine (CID 2360618) is N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine is CC(C)c1ccc(Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is MQBUFHMBMYWOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11(2)12-7-9-13(10-8-12)17-16-18-14-5-3-4-6-15(14)19-16/h3-11H,1-2H3,(H,17,18).
What are the key properties of N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine?
N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 268.38 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2360618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).