4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride

C10H21Cl2N3S — CID 72716242

IUPAC4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride
SMILESCCCN(CCC)Cc1csc(N)n1.Cl.Cl
InChIInChI=1S/C10H19N3S.2ClH/c1-3-5-13(6-4-2)7-9-8-14-10(11)12-9;;/h8H,3-7H2,1-2H3,(H2,11,12);2*1H
InChIKeyWOHWHFFVHZLPJY-UHFFFAOYSA-N
MW286.27 g/mol
LogP3.19
Rot. Bonds6

About 4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride

4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 72716242) has the molecular formula C10H21Cl2N3S and a molecular weight of 286.27 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride
PubChem CID72716242
Molecular FormulaC10H21Cl2N3S
Molecular Weight286.27 g/mol
Exact Mass285.08
IUPAC Name4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride
SMILESCCCN(CCC)Cc1csc(N)n1.Cl.Cl
InChIInChI=1S/C10H19N3S.2ClH/c1-3-5-13(6-4-2)7-9-8-14-10(11)12-9;;/h8H,3-7H2,1-2H3,(H2,11,12);2*1H
InChIKeyWOHWHFFVHZLPJY-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride (CID 72716242) is 4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride is CCCN(CCC)Cc1csc(N)n1.Cl.Cl.
What is the InChIKey of 4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is WOHWHFFVHZLPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S.2ClH/c1-3-5-13(6-4-2)7-9-8-14-10(11)12-9;;/h8H,3-7H2,1-2H3,(H2,11,12);2*1H.
What are the key properties of 4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride?
4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 286.27 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 72716242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).