N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C12H21N3OS — CID 29363865

IUPACN-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCCCCCCNC(=O)c1c(C)nsc1NC
InChIInChI=1S/C12H21N3OS/c1-4-5-6-7-8-14-11(16)10-9(2)15-17-12(10)13-3/h13H,4-8H2,1-3H3,(H,14,16)
InChIKeyQDFOGHLFHSRSDW-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.80
Rot. Bonds7

About N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 29363865) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID29363865
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCCCCCCNC(=O)c1c(C)nsc1NC
InChIInChI=1S/C12H21N3OS/c1-4-5-6-7-8-14-11(16)10-9(2)15-17-12(10)13-3/h13H,4-8H2,1-3H3,(H,14,16)
InChIKeyQDFOGHLFHSRSDW-UHFFFAOYSA-N
XLogP2.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 29363865) is N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CCCCCCNC(=O)c1c(C)nsc1NC.
What is the InChIKey of N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is QDFOGHLFHSRSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-5-6-7-8-14-11(16)10-9(2)15-17-12(10)13-3/h13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 29363865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).