4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine

C16H18N2S2 — CID 79146503

IUPAC4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NC(c3cccs3)C(C)C)nc12
InChIInChI=1S/C16H18N2S2/c1-10(2)14(12-8-5-9-19-12)17-16-18-15-11(3)6-4-7-13(15)20-16/h4-10,14H,1-3H3,(H,17,18)
InChIKeyLMVZLCRVDZTMEE-UHFFFAOYSA-N
MW302.47 g/mol
LogP5.48
Rot. Bonds4

About 4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine

4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine (PubChem CID 79146503) has the molecular formula C16H18N2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
PubChem CID79146503
Molecular FormulaC16H18N2S2
Molecular Weight302.47 g/mol
Exact Mass302.09
IUPAC Name4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NC(c3cccs3)C(C)C)nc12
InChIInChI=1S/C16H18N2S2/c1-10(2)14(12-8-5-9-19-12)17-16-18-15-11(3)6-4-7-13(15)20-16/h4-10,14H,1-3H3,(H,17,18)
InChIKeyLMVZLCRVDZTMEE-UHFFFAOYSA-N
XLogP5.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.47
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906850
4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80569880
N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953090
methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423867
4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113484222
(2S)-2-amino-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119266077
diethyl 2-[[(4-methyl-1,3-benzothiazol-2-yl)amino]-naphthalen-1-ylmethyl]propanedioate
CID 56590070
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
6-N-(4-methyl-1,3-benzothiazol-2-yl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135651
N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146599
N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285299
N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 78908944

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine (CID 79146503) is 4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine is Cc1cccc2sc(NC(c3cccs3)C(C)C)nc12.
What is the InChIKey of 4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine?
The InChIKey is LMVZLCRVDZTMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S2/c1-10(2)14(12-8-5-9-19-12)17-16-18-15-11(3)6-4-7-13(15)20-16/h4-10,14H,1-3H3,(H,17,18).
What are the key properties of 4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine?
4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine has a molecular weight of 302.47 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79146503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).