4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

C15H28N4OS — CID 116671824

IUPAC4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NCCCCC(C)C)s1
InChIInChI=1S/C15H28N4OS/c1-5-10-19(4)15-18-13(16)12(21-15)14(20)17-9-7-6-8-11(2)3/h11H,5-10,16H2,1-4H3,(H,17,20)
InChIKeyYWVSMEKAHBAQPV-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.13
Rot. Bonds9

About 4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116671824) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116671824
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NCCCCC(C)C)s1
InChIInChI=1S/C15H28N4OS/c1-5-10-19(4)15-18-13(16)12(21-15)14(20)17-9-7-6-8-11(2)3/h11H,5-10,16H2,1-4H3,(H,17,20)
InChIKeyYWVSMEKAHBAQPV-UHFFFAOYSA-N
XLogP3.13
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(5-hydroxy-4-methylpentyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106163760
4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
CID 116664858
4-amino-2-[methyl(propyl)amino]-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665952
4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116669734
4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671828
4-amino-2-[methyl(propyl)amino]-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673120
4-amino-N-(2-methyl-3-methylsulfanylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116666557
4-amino-N-(2-cyclopropylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672850
4-amino-2-[methyl(propyl)amino]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106434208
4-amino-2-[methyl(propyl)amino]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669026
4-amino-N-(3-methylbut-2-enyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106199031
4-amino-N-[3-(diethylamino)propyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668561

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (CID 116671824) is 4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)NCCCCC(C)C)s1.
What is the InChIKey of 4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is YWVSMEKAHBAQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-5-10-19(4)15-18-13(16)12(21-15)14(20)17-9-7-6-8-11(2)3/h11H,5-10,16H2,1-4H3,(H,17,20).
What are the key properties of 4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 312.48 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).