N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

C13H25N3S — CID 55172951

IUPACN-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1=NCC(C2CC2)S1
InChIInChI=1S/C13H25N3S/c1-13(2,9-16(3)4)8-15-12-14-7-11(17-12)10-5-6-10/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeySDHKORLDJASAQQ-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.05
Rot. Bonds5

About N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 55172951) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID55172951
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1=NCC(C2CC2)S1
InChIInChI=1S/C13H25N3S/c1-13(2,9-16(3)4)8-15-12-14-7-11(17-12)10-5-6-10/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeySDHKORLDJASAQQ-UHFFFAOYSA-N
XLogP2.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 55172951) is N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNC1=NCC(C2CC2)S1.
What is the InChIKey of N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is SDHKORLDJASAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-13(2,9-16(3)4)8-15-12-14-7-11(17-12)10-5-6-10/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 255.43 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 55172951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).