5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C14H28N4OS — CID 103360124

IUPAC5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)CC(CN(C)C)Nc1snc(N)c1OC(C)C
InChIInChI=1S/C14H28N4OS/c1-9(2)7-11(8-18(5)6)16-14-12(19-10(3)4)13(15)17-20-14/h9-11,16H,7-8H2,1-6H3,(H2,15,17)
InChIKeyLQKRITJSSANGFC-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.90
Rot. Bonds8

About 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103360124) has the molecular formula C14H28N4OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103360124
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC Name5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)CC(CN(C)C)Nc1snc(N)c1OC(C)C
InChIInChI=1S/C14H28N4OS/c1-9(2)7-11(8-18(5)6)16-14-12(19-10(3)4)13(15)17-20-14/h9-11,16H,7-8H2,1-6H3,(H2,15,17)
InChIKeyLQKRITJSSANGFC-UHFFFAOYSA-N
XLogP2.90
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103360124) is 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CC(C)CC(CN(C)C)Nc1snc(N)c1OC(C)C.
What is the InChIKey of 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is LQKRITJSSANGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-9(2)7-11(8-18(5)6)16-14-12(19-10(3)4)13(15)17-20-14/h9-11,16H,7-8H2,1-6H3,(H2,15,17).
What are the key properties of 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 300.47 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).