4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide

C13H24N4OS — CID 116669640

IUPAC4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCC(C)N(CC)C(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C13H24N4OS/c1-6-9(4)17(8-3)12(18)10-11(14)15-13(19-10)16(5)7-2/h9H,6-8,14H2,1-5H3
InChIKeyDCXZPVLJRGYIPJ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.44
Rot. Bonds6

About 4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide

4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116669640) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116669640
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCC(C)N(CC)C(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C13H24N4OS/c1-6-9(4)17(8-3)12(18)10-11(14)15-13(19-10)16(5)7-2/h9H,6-8,14H2,1-5H3
InChIKeyDCXZPVLJRGYIPJ-UHFFFAOYSA-N
XLogP2.44
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
CID 116669530
4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672125
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116664409
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
CID 106918874
4-amino-N-(cyclopentylmethyl)-2-[ethyl(methyl)amino]-N-methyl-1,3-thiazole-5-carboxamide
CID 116666232
4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663725
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674692
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667777
4-amino-N-cyclohexyl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668423
4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
CID 116665037
4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116669635
4-amino-2-(dimethylamino)-N-methyl-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116669684

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide (CID 116669640) is 4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide is CCC(C)N(CC)C(=O)c1sc(N(C)CC)nc1N.
What is the InChIKey of 4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is DCXZPVLJRGYIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-6-9(4)17(8-3)12(18)10-11(14)15-13(19-10)16(5)7-2/h9H,6-8,14H2,1-5H3.
What are the key properties of 4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).