1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide

C14H17N3OS — CID 115452760

IUPAC1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)C1(CN)CC1
InChIInChI=1S/C14H17N3OS/c1-17(13(18)14(9-15)6-7-14)8-12-16-10-4-2-3-5-11(10)19-12/h2-5H,6-9,15H2,1H3
InChIKeyLDUMKMDXSKTDKZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.99
Rot. Bonds4

About 1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide

1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 115452760) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide
PubChem CID115452760
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)C1(CN)CC1
InChIInChI=1S/C14H17N3OS/c1-17(13(18)14(9-15)6-7-14)8-12-16-10-4-2-3-5-11(10)19-12/h2-5H,6-9,15H2,1H3
InChIKeyLDUMKMDXSKTDKZ-UHFFFAOYSA-N
XLogP1.99
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 81492934
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62687569
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpropanamide
CID 120773039
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64824365
4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63103405
N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956
N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide
CID 46532413

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide (CID 115452760) is 1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide is CN(Cc1nc2ccccc2s1)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is LDUMKMDXSKTDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-17(13(18)14(9-15)6-7-14)8-12-16-10-4-2-3-5-11(10)19-12/h2-5H,6-9,15H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115452760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).