4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C13H21N3S2 — CID 113387451

IUPAC4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cnc(C(C)NC2=NC(CC(C)C)CS2)s1
InChIInChI=1S/C13H21N3S2/c1-8(2)5-11-7-17-13(16-11)15-10(4)12-14-6-9(3)18-12/h6,8,10-11H,5,7H2,1-4H3,(H,15,16)
InChIKeyPBAORAXEXKIWRT-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.62
Rot. Bonds4

About 4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113387451) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113387451
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cnc(C(C)NC2=NC(CC(C)C)CS2)s1
InChIInChI=1S/C13H21N3S2/c1-8(2)5-11-7-17-13(16-11)15-10(4)12-14-6-9(3)18-12/h6,8,10-11H,5,7H2,1-4H3,(H,15,16)
InChIKeyPBAORAXEXKIWRT-UHFFFAOYSA-N
XLogP3.62
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 113387451) is 4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cnc(C(C)NC2=NC(CC(C)C)CS2)s1.
What is the InChIKey of 4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PBAORAXEXKIWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-8(2)5-11-7-17-13(16-11)15-10(4)12-14-6-9(3)18-12/h6,8,10-11H,5,7H2,1-4H3,(H,15,16).
What are the key properties of 4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 283.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113387451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).