1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride

C9H12Cl2N2OS — CID 56773667

IUPAC1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
SMILESCl.Cl.c1coc(CNCc2nccs2)c1
InChIInChI=1S/C9H10N2OS.2ClH/c1-2-8(12-4-1)6-10-7-9-11-3-5-13-9;;/h1-5,10H,6-7H2;2*1H
InChIKeyITYBZKOKWBLNNH-UHFFFAOYSA-N
MW267.18 g/mol
LogP2.87
Rot. Bonds4

About 1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride

1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride (PubChem CID 56773667) has the molecular formula C9H12Cl2N2OS and a molecular weight of 267.18 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
PubChem CID56773667
Molecular FormulaC9H12Cl2N2OS
Molecular Weight267.18 g/mol
Exact Mass266.00
IUPAC Name1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
SMILESCl.Cl.c1coc(CNCc2nccs2)c1
InChIInChI=1S/C9H10N2OS.2ClH/c1-2-8(12-4-1)6-10-7-9-11-3-5-13-9;;/h1-5,10H,6-7H2;2*1H
InChIKeyITYBZKOKWBLNNH-UHFFFAOYSA-N
XLogP2.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
1-(1,2-oxazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106414886
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273448
(1S)-1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81403465
2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol
CID 61284615
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
CID 58040162
2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 3861631
2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine
CID 143535927
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 6462424
1-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 78977028

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride?
The IUPAC name of 1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride (CID 56773667) is 1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride.
What is the SMILES notation for 1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride?
The canonical SMILES for 1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride is Cl.Cl.c1coc(CNCc2nccs2)c1.
What is the InChIKey of 1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride?
The InChIKey is ITYBZKOKWBLNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS.2ClH/c1-2-8(12-4-1)6-10-7-9-11-3-5-13-9;;/h1-5,10H,6-7H2;2*1H.
What are the key properties of 1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride?
1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride has a molecular weight of 267.18 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride is sourced from PubChem (CID 56773667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).