N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine

C16H21N3S — CID 106641159

IUPACN-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine
SMILESc1ccc2c(N(CC3CCCCN3)C3CC3)snc2c1
InChIInChI=1S/C16H21N3S/c1-2-7-15-14(6-1)16(20-18-15)19(13-8-9-13)11-12-5-3-4-10-17-12/h1-2,6-7,12-13,17H,3-5,8-11H2
InChIKeyQIDUKWUPGWFRRA-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.41
Rot. Bonds4

About N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine

N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine (PubChem CID 106641159) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine
PubChem CID106641159
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine
SMILESc1ccc2c(N(CC3CCCCN3)C3CC3)snc2c1
InChIInChI=1S/C16H21N3S/c1-2-7-15-14(6-1)16(20-18-15)19(13-8-9-13)11-12-5-3-4-10-17-12/h1-2,6-7,12-13,17H,3-5,8-11H2
InChIKeyQIDUKWUPGWFRRA-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine
CID 106640940
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinoxalin-2-amine
CID 106641225
N-butyl-N-(pyrrolidin-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 106620444
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1,2,4-benzotriazin-3-amine
CID 106641209
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106641188
3-(2-piperidin-2-ylethoxy)-2,1-benzothiazole
CID 66355743
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine
CID 106600093
N-cyclopropyl-N-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 106641172
N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline
CID 106641104
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106640995
N-cyclopropyl-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106641229
N,2-dimethyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
CID 106642115

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine?
The IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine (CID 106641159) is N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine?
The canonical SMILES for N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine is c1ccc2c(N(CC3CCCCN3)C3CC3)snc2c1.
What is the InChIKey of N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine?
The InChIKey is QIDUKWUPGWFRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-7-15-14(6-1)16(20-18-15)19(13-8-9-13)11-12-5-3-4-10-17-12/h1-2,6-7,12-13,17H,3-5,8-11H2.
What are the key properties of N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine?
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine has a molecular weight of 287.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine is sourced from PubChem (CID 106641159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).