4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide

C14H26N4OS — CID 116673517

IUPAC4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
SMILESCCC(CC)CNC(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C14H26N4OS/c1-5-10(6-2)9-16-13(19)11-12(15)17-14(20-11)18(7-3)8-4/h10H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyBKXQAQASSFFNCX-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.74
Rot. Bonds8

About 4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide

4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide (PubChem CID 116673517) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
PubChem CID116673517
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
SMILESCCC(CC)CNC(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C14H26N4OS/c1-5-10(6-2)9-16-13(19)11-12(15)17-14(20-11)18(7-3)8-4/h10H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyBKXQAQASSFFNCX-UHFFFAOYSA-N
XLogP2.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116672638
4-amino-2-(diethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116669748
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 106280963
4-amino-2-(diethylamino)-N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116673688
4-amino-2-(diethylamino)-N-pent-1-yn-3-yl-1,3-thiazole-5-carboxamide
CID 106233150
4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666874
4-amino-2-(diethylamino)-N-(3-methylsulfinylpropyl)-1,3-thiazole-5-carboxamide
CID 116672922
4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116672887
4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide
CID 106215829
4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116666076
4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116672740
4-amino-2-(diethylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665473

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide (CID 116673517) is 4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide is CCC(CC)CNC(=O)c1sc(N(CC)CC)nc1N.
What is the InChIKey of 4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BKXQAQASSFFNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-5-10(6-2)9-16-13(19)11-12(15)17-14(20-11)18(7-3)8-4/h10H,5-9,15H2,1-4H3,(H,16,19).
What are the key properties of 4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 298.46 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).