6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine

C17H17N3OS — CID 162380441

IUPAC6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESc1cncc(CNc2nc3ccc(OCC4CC4)cc3s2)c1
InChIInChI=1S/C17H17N3OS/c1-2-13(9-18-7-1)10-19-17-20-15-6-5-14(8-16(15)22-17)21-11-12-3-4-12/h1-2,5-9,12H,3-4,10-11H2,(H,19,20)
InChIKeyUWTYDVIIVXZZFD-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.09
Rot. Bonds6

About 6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine

6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 162380441) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID162380441
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESc1cncc(CNc2nc3ccc(OCC4CC4)cc3s2)c1
InChIInChI=1S/C17H17N3OS/c1-2-13(9-18-7-1)10-19-17-20-15-6-5-14(8-16(15)22-17)21-11-12-3-4-12/h1-2,5-9,12H,3-4,10-11H2,(H,19,20)
InChIKeyUWTYDVIIVXZZFD-UHFFFAOYSA-N
XLogP4.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79516074
5,6-difluoro-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 162380035
6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 108779961
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749
2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine
CID 167768126
6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 115924915
N-benzyl-6-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 102448175
6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 114701205
trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol
CID 59333446
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 117085508
3-[[2-(cyclohexylmethylamino)-1,3-benzothiazol-6-yl]oxymethyl]pyridine-4-carboxamide
CID 91188332
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 60610661

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine (CID 162380441) is 6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine is c1cncc(CNc2nc3ccc(OCC4CC4)cc3s2)c1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is UWTYDVIIVXZZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-13(9-18-7-1)10-19-17-20-15-6-5-14(8-16(15)22-17)21-11-12-3-4-12/h1-2,5-9,12H,3-4,10-11H2,(H,19,20).
What are the key properties of 6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine?
6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 311.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162380441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).