4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide

C14H26N4OS — CID 116669628

IUPAC4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
SMILESCCN(CC(C)C)C(=O)c1sc(NCC(C)C)nc1N
InChIInChI=1S/C14H26N4OS/c1-6-18(8-10(4)5)13(19)11-12(15)17-14(20-11)16-7-9(2)3/h9-10H,6-8,15H2,1-5H3,(H,16,17)
InChIKeyBUZAYTGXSSKWPZ-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.91
Rot. Bonds7

About 4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide

4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116669628) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
PubChem CID116669628
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
SMILESCCN(CC(C)C)C(=O)c1sc(NCC(C)C)nc1N
InChIInChI=1S/C14H26N4OS/c1-6-18(8-10(4)5)13(19)11-12(15)17-14(20-11)16-7-9(2)3/h9-10H,6-8,15H2,1-5H3,(H,16,17)
InChIKeyBUZAYTGXSSKWPZ-UHFFFAOYSA-N
XLogP2.91
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116671241
4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116672484
4-amino-N-methyl-N-(3-methylbutan-2-yl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116670332
4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116669635
4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116673876
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116665523
4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664452
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116664589
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-2-(2-methylpropylamino)-N-(3-methylsulfonylpropyl)-1,3-thiazole-5-carboxamide
CID 116664659
4-amino-N-(cyclopentylmethyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669781

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide (CID 116669628) is 4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide is CCN(CC(C)C)C(=O)c1sc(NCC(C)C)nc1N.
What is the InChIKey of 4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is BUZAYTGXSSKWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-6-18(8-10(4)5)13(19)11-12(15)17-14(20-11)16-7-9(2)3/h9-10H,6-8,15H2,1-5H3,(H,16,17).
What are the key properties of 4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 298.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).