4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

C14H26N4OS — CID 116671828

IUPAC4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCCCCC(C)C)s1
InChIInChI=1S/C14H26N4OS/c1-4-8-17-14-18-12(15)11(20-14)13(19)16-9-6-5-7-10(2)3/h10H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyKQYWRILZCUWHOY-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.10
Rot. Bonds9

About 4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116671828) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116671828
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCCCCC(C)C)s1
InChIInChI=1S/C14H26N4OS/c1-4-8-17-14-18-12(15)11(20-14)13(19)16-9-6-5-7-10(2)3/h10H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyKQYWRILZCUWHOY-UHFFFAOYSA-N
XLogP3.10
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
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-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-N-(4-hydroxy-2-methylbutyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671133
4-amino-2-(propylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672287
4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667150
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671824
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541
4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664063

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116671828) is 4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NCCCCC(C)C)s1.
What is the InChIKey of 4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is KQYWRILZCUWHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-4-8-17-14-18-12(15)11(20-14)13(19)16-9-6-5-7-10(2)3/h10H,4-9,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 298.46 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).