2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide

C16H20N2O2S — CID 95169004

IUPAC2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(C)c1nc2ccc(NC(=O)COCC3CC3)cc2s1
InChIInChI=1S/C16H20N2O2S/c1-10(2)16-18-13-6-5-12(7-14(13)21-16)17-15(19)9-20-8-11-3-4-11/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyVDAZKUHFAKBFFP-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.78
Rot. Bonds6

About 2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide

2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 95169004) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
PubChem CID95169004
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(C)c1nc2ccc(NC(=O)COCC3CC3)cc2s1
InChIInChI=1S/C16H20N2O2S/c1-10(2)16-18-13-6-5-12(7-14(13)21-16)17-15(19)9-20-8-11-3-4-11/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyVDAZKUHFAKBFFP-UHFFFAOYSA-N
XLogP3.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119753611
N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119306074
4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 120626172
2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 51591557
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 99802369
dimethyl (E)-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]but-2-enedioate
CID 168568132
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide
CID 71921022
1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 71884515
N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide
CID 60593198
2-(4-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 60594965
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 47411212

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide (CID 95169004) is 2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide is CC(C)c1nc2ccc(NC(=O)COCC3CC3)cc2s1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is VDAZKUHFAKBFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10(2)16-18-13-6-5-12(7-14(13)21-16)17-15(19)9-20-8-11-3-4-11/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 95169004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).