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

C14H18ClN3S — CID 120902005

IUPAC5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1(NCc2cnc(N)s2)Cc2ccccc2C1.Cl
InChIInChI=1S/C14H17N3S.ClH/c1-14(17-9-12-8-16-13(15)18-12)6-10-4-2-3-5-11(10)7-14;/h2-5,8,17H,6-7,9H2,1H3,(H2,15,16);1H
InChIKeyYWNDULDXEATSSK-UHFFFAOYSA-N
MW295.84 g/mol
LogP2.79
Rot. Bonds3

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

5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120902005) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120902005
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1(NCc2cnc(N)s2)Cc2ccccc2C1.Cl
InChIInChI=1S/C14H17N3S.ClH/c1-14(17-9-12-8-16-13(15)18-12)6-10-4-2-3-5-11(10)7-14;/h2-5,8,17H,6-7,9H2,1H3,(H2,15,16);1H
InChIKeyYWNDULDXEATSSK-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol
CID 120902030
5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine
CID 131206977
5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine
CID 91042392
5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine
CID 79774006
5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904382
methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate
CID 120902032
5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901883
5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine
CID 118958251
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902294
5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine
CID 120902010
5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903964
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120902005) is 5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CC1(NCc2cnc(N)s2)Cc2ccccc2C1.Cl.
What is the InChIKey of 5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is YWNDULDXEATSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S.ClH/c1-14(17-9-12-8-16-13(15)18-12)6-10-4-2-3-5-11(10)7-14;/h2-5,8,17H,6-7,9H2,1H3,(H2,15,16);1H.
What are the key properties of 5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 295.84 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-1,3-dihydroinden-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120902005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).