N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride

C13H27Cl2N3S — CID 119928878

IUPACN',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride
SMILESCCCc1nc(CN(C)CC(C)(C)CN)cs1.Cl.Cl
InChIInChI=1S/C13H25N3S.2ClH/c1-5-6-12-15-11(8-17-12)7-16(4)10-13(2,3)9-14;;/h8H,5-7,9-10,14H2,1-4H3;2*1H
InChIKeyRIXZKQWGYZZCSG-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.36
Rot. Bonds7

About N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride

N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride (PubChem CID 119928878) has the molecular formula C13H27Cl2N3S and a molecular weight of 328.35 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride
PubChem CID119928878
Molecular FormulaC13H27Cl2N3S
Molecular Weight328.35 g/mol
Exact Mass327.13
IUPAC NameN',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride
SMILESCCCc1nc(CN(C)CC(C)(C)CN)cs1.Cl.Cl
InChIInChI=1S/C13H25N3S.2ClH/c1-5-6-12-15-11(8-17-12)7-16(4)10-13(2,3)9-14;;/h8H,5-7,9-10,14H2,1-4H3;2*1H
InChIKeyRIXZKQWGYZZCSG-UHFFFAOYSA-N
XLogP3.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride with MolForge

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Related Compounds

2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine
CID 116888476
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride
CID 119928855
N,N-dimethyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51076387
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62461729
N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62461023
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 66387083
2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113339721
N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine
CID 106636510
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine
CID 134052869
N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 63265394
4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol
CID 114952911

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride?
The IUPAC name of N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride (CID 119928878) is N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride is CCCc1nc(CN(C)CC(C)(C)CN)cs1.Cl.Cl.
What is the InChIKey of N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride?
The InChIKey is RIXZKQWGYZZCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S.2ClH/c1-5-6-12-15-11(8-17-12)7-16(4)10-13(2,3)9-14;;/h8H,5-7,9-10,14H2,1-4H3;2*1H.
What are the key properties of N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride?
N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride has a molecular weight of 328.35 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 119928878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).