5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C17H22ClN3S — CID 120898668

IUPAC5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN(C2CC2)C2CCCc3ccccc32)s1
InChIInChI=1S/C17H21N3S.ClH/c18-17-19-10-14(21-17)11-20(13-8-9-13)16-7-3-5-12-4-1-2-6-15(12)16;/h1-2,4,6,10,13,16H,3,5,7-9,11H2,(H2,18,19);1H
InChIKeySWJLGDVHWKGYCW-UHFFFAOYSA-N
MW335.90 g/mol
LogP4.19
Rot. Bonds4

About 5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120898668) has the molecular formula C17H22ClN3S and a molecular weight of 335.90 g/mol. Its IUPAC name is 5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120898668
Molecular FormulaC17H22ClN3S
Molecular Weight335.90 g/mol
Exact Mass335.12
IUPAC Name5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN(C2CC2)C2CCCc3ccccc32)s1
InChIInChI=1S/C17H21N3S.ClH/c18-17-19-10-14(21-17)11-20(13-8-9-13)16-7-3-5-12-4-1-2-6-15(12)16;/h1-2,4,6,10,13,16H,3,5,7-9,11H2,(H2,18,19);1H
InChIKeySWJLGDVHWKGYCW-UHFFFAOYSA-N
XLogP4.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904819
5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120904816
5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898662
N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 126811695
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119728161
2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide
CID 154748560
4-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,1-dioxothian-4-ol
CID 122133307
1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 126789644
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
CID 120560475
(1S)-N-cyclopropyl-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 95164534
5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898292
2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 52511480

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120898668) is 5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN(C2CC2)C2CCCc3ccccc32)s1.
What is the InChIKey of 5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is SWJLGDVHWKGYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S.ClH/c18-17-19-10-14(21-17)11-20(13-8-9-13)16-7-3-5-12-4-1-2-6-15(12)16;/h1-2,4,6,10,13,16H,3,5,7-9,11H2,(H2,18,19);1H.
What are the key properties of 5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 335.90 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120898668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).