4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide

C11H20N4OS — CID 116665199

IUPAC4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCCCC(CC)NC(=O)c1sc(NC)nc1N
InChIInChI=1S/C11H20N4OS/c1-4-6-7(5-2)14-10(16)8-9(12)15-11(13-3)17-8/h7H,4-6,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyQAEPVSISVNGMIT-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.08
Rot. Bonds6

About 4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116665199) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116665199
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCCCC(CC)NC(=O)c1sc(NC)nc1N
InChIInChI=1S/C11H20N4OS/c1-4-6-7(5-2)14-10(16)8-9(12)15-11(13-3)17-8/h7H,4-6,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyQAEPVSISVNGMIT-UHFFFAOYSA-N
XLogP2.08
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116665199) is 4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide is CCCC(CC)NC(=O)c1sc(NC)nc1N.
What is the InChIKey of 4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is QAEPVSISVNGMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-6-7(5-2)14-10(16)8-9(12)15-11(13-3)17-8/h7H,4-6,12H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).