[4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride

C14H20Cl2N2S — CID 155943443

IUPAC[4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride
SMILESCc1nc(C(C)C)sc1-c1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C14H18N2S.2ClH/c1-9(2)14-16-10(3)13(17-14)12-6-4-11(8-15)5-7-12;;/h4-7,9H,8,15H2,1-3H3;2*1H
InChIKeySYOIIDKVZAAFGY-UHFFFAOYSA-N
MW319.30 g/mol
LogP4.54
Rot. Bonds3

About [4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride

[4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride (PubChem CID 155943443) has the molecular formula C14H20Cl2N2S and a molecular weight of 319.30 g/mol. Its IUPAC name is [4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride
PubChem CID155943443
Molecular FormulaC14H20Cl2N2S
Molecular Weight319.30 g/mol
Exact Mass318.07
IUPAC Name[4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride
SMILESCc1nc(C(C)C)sc1-c1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C14H18N2S.2ClH/c1-9(2)14-16-10(3)13(17-14)12-6-4-11(8-15)5-7-12;;/h4-7,9H,8,15H2,1-3H3;2*1H
InChIKeySYOIIDKVZAAFGY-UHFFFAOYSA-N
XLogP4.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride?
The IUPAC name of [4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride (CID 155943443) is [4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride.
What is the SMILES notation for [4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride?
The canonical SMILES for [4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride is Cc1nc(C(C)C)sc1-c1ccc(CN)cc1.Cl.Cl.
What is the InChIKey of [4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride?
The InChIKey is SYOIIDKVZAAFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S.2ClH/c1-9(2)14-16-10(3)13(17-14)12-6-4-11(8-15)5-7-12;;/h4-7,9H,8,15H2,1-3H3;2*1H.
What are the key properties of [4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride?
[4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride has a molecular weight of 319.30 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 155943443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).