N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine

C17H20N2S — CID 63421415

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nc(-c2ccc(NC3CC4CCC3C4)cc2)cs1
InChIInChI=1S/C17H20N2S/c1-11-18-17(10-20-11)13-4-6-15(7-5-13)19-16-9-12-2-3-14(16)8-12/h4-7,10,12,14,16,19H,2-3,8-9H2,1H3
InChIKeyKDCNYRHDJLHQTR-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.72
Rot. Bonds3

About N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 63421415) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID63421415
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nc(-c2ccc(NC3CC4CCC3C4)cc2)cs1
InChIInChI=1S/C17H20N2S/c1-11-18-17(10-20-11)13-4-6-15(7-5-13)19-16-9-12-2-3-14(16)8-12/h4-7,10,12,14,16,19H,2-3,8-9H2,1H3
InChIKeyKDCNYRHDJLHQTR-UHFFFAOYSA-N
XLogP4.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 28541004
N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 106821266
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine
CID 61308992
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 62810365
N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55194098
5,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thian-3-amine
CID 79953339
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261910

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine (CID 63421415) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine is Cc1nc(-c2ccc(NC3CC4CCC3C4)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is KDCNYRHDJLHQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-11-18-17(10-20-11)13-4-6-15(7-5-13)19-16-9-12-2-3-14(16)8-12/h4-7,10,12,14,16,19H,2-3,8-9H2,1H3.
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 284.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63421415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).