(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride

C11H14Cl2N2S — CID 138041019

IUPAC(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride
SMILESCc1csc(C(N)c2ccccc2)n1.Cl.Cl
InChIInChI=1S/C11H12N2S.2ClH/c1-8-7-14-11(13-8)10(12)9-5-3-2-4-6-9;;/h2-7,10H,12H2,1H3;2*1H
InChIKeyXUSGNYPVOKZSHB-UHFFFAOYSA-N
MW277.22 g/mol
LogP3.34
Rot. Bonds2

About (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride

(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride (PubChem CID 138041019) has the molecular formula C11H14Cl2N2S and a molecular weight of 277.22 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride
PubChem CID138041019
Molecular FormulaC11H14Cl2N2S
Molecular Weight277.22 g/mol
Exact Mass276.03
IUPAC Name(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride
SMILESCc1csc(C(N)c2ccccc2)n1.Cl.Cl
InChIInChI=1S/C11H12N2S.2ClH/c1-8-7-14-11(13-8)10(12)9-5-3-2-4-6-9;;/h2-7,10H,12H2,1H3;2*1H
InChIKeyXUSGNYPVOKZSHB-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride?
The IUPAC name of (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride (CID 138041019) is (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride.
What is the SMILES notation for (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride?
The canonical SMILES for (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride is Cc1csc(C(N)c2ccccc2)n1.Cl.Cl.
What is the InChIKey of (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride?
The InChIKey is XUSGNYPVOKZSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.2ClH/c1-8-7-14-11(13-8)10(12)9-5-3-2-4-6-9;;/h2-7,10H,12H2,1H3;2*1H.
What are the key properties of (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride?
(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride has a molecular weight of 277.22 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine;dihydrochloride is sourced from PubChem (CID 138041019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).