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

C12H23N3S — CID 63296438

IUPAC1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1=NCC(C2CC2)S1
InChIInChI=1S/C12H23N3S/c1-12(2,15(3)4)8-14-11-13-7-10(16-11)9-5-6-9/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyLJNRADUOGDVSGC-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.80
Rot. Bonds4

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

1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 63296438) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID63296438
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1=NCC(C2CC2)S1
InChIInChI=1S/C12H23N3S/c1-12(2,15(3)4)8-14-11-13-7-10(16-11)9-5-6-9/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyLJNRADUOGDVSGC-UHFFFAOYSA-N
XLogP1.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 63296438) is 1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNC1=NCC(C2CC2)S1.
What is the InChIKey of 1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is LJNRADUOGDVSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-12(2,15(3)4)8-14-11-13-7-10(16-11)9-5-6-9/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 241.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 63296438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).