5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine

C16H24N2OS — CID 82548547

IUPAC5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(OC)c(C(C)(C)C)cc(C)c2s1
InChIInChI=1S/C16H24N2OS/c1-7-8-17-15-18-12-13(19-6)11(16(3,4)5)9-10(2)14(12)20-15/h9H,7-8H2,1-6H3,(H,17,18)
InChIKeyPHPLOHXVZFCTDQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.73
Rot. Bonds4

About 5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine

5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine (PubChem CID 82548547) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine
PubChem CID82548547
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(OC)c(C(C)(C)C)cc(C)c2s1
InChIInChI=1S/C16H24N2OS/c1-7-8-17-15-18-12-13(19-6)11(16(3,4)5)9-10(2)14(12)20-15/h9H,7-8H2,1-6H3,(H,17,18)
InChIKeyPHPLOHXVZFCTDQ-UHFFFAOYSA-N
XLogP4.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548640
6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549360
4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 82548601
5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine
CID 82549501
4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548668
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536
5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine
CID 82548641
4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548748
4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549380
4,5,6-triethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 96710391
4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol
CID 45120026
1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine (CID 82548547) is 5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine is CCCNc1nc2c(OC)c(C(C)(C)C)cc(C)c2s1.
What is the InChIKey of 5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine?
The InChIKey is PHPLOHXVZFCTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-7-8-17-15-18-12-13(19-6)11(16(3,4)5)9-10(2)14(12)20-15/h9H,7-8H2,1-6H3,(H,17,18).
What are the key properties of 5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine?
5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine has a molecular weight of 292.45 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).