1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine

C12H25N3S — CID 107154655

IUPAC1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine
SMILESCC(C)CC1CN=C(NC(C)CN(C)C)S1
InChIInChI=1S/C12H25N3S/c1-9(2)6-11-7-13-12(16-11)14-10(3)8-15(4)5/h9-11H,6-8H2,1-5H3,(H,13,14)
InChIKeyLTFDOGAUCJZRKR-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.04
Rot. Bonds5

About 1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine

1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine (PubChem CID 107154655) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine
PubChem CID107154655
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine
SMILESCC(C)CC1CN=C(NC(C)CN(C)C)S1
InChIInChI=1S/C12H25N3S/c1-9(2)6-11-7-13-12(16-11)14-10(3)8-15(4)5/h9-11H,6-8H2,1-5H3,(H,13,14)
InChIKeyLTFDOGAUCJZRKR-UHFFFAOYSA-N
XLogP2.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine (CID 107154655) is 1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine is CC(C)CC1CN=C(NC(C)CN(C)C)S1.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine?
The InChIKey is LTFDOGAUCJZRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-9(2)6-11-7-13-12(16-11)14-10(3)8-15(4)5/h9-11H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine has a molecular weight of 243.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine is sourced from PubChem (CID 107154655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).