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

C14H22N4S2 — CID 82427609

IUPAC4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(CCN(C)C)sc1-c1csc(NC(C)C)n1
InChIInChI=1S/C14H22N4S2/c1-9(2)15-14-17-11(8-19-14)13-10(3)16-12(20-13)6-7-18(4)5/h8-9H,6-7H2,1-5H3,(H,15,17)
InChIKeyZSWMOZYJZHMCHL-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.50
Rot. Bonds6

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

4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 82427609) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID82427609
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(CCN(C)C)sc1-c1csc(NC(C)C)n1
InChIInChI=1S/C14H22N4S2/c1-9(2)15-14-17-11(8-19-14)13-10(3)16-12(20-13)6-7-18(4)5/h8-9H,6-7H2,1-5H3,(H,15,17)
InChIKeyZSWMOZYJZHMCHL-UHFFFAOYSA-N
XLogP3.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 82427609) is 4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine is Cc1nc(CCN(C)C)sc1-c1csc(NC(C)C)n1.
What is the InChIKey of 4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is ZSWMOZYJZHMCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-9(2)15-14-17-11(8-19-14)13-10(3)16-12(20-13)6-7-18(4)5/h8-9H,6-7H2,1-5H3,(H,15,17).
What are the key properties of 4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 310.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82427609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).