4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide

C13H24N4OS — CID 116664355

IUPAC4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(C)C(C)CC(C)C)s1
InChIInChI=1S/C13H24N4OS/c1-6-15-13-16-11(14)10(19-13)12(18)17(5)9(4)7-8(2)3/h8-9H,6-7,14H2,1-5H3,(H,15,16)
InChIKeyITBFWQBKMAKVIG-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.66
Rot. Bonds6

About 4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116664355) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116664355
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(C)C(C)CC(C)C)s1
InChIInChI=1S/C13H24N4OS/c1-6-15-13-16-11(14)10(19-13)12(18)17(5)9(4)7-8(2)3/h8-9H,6-7,14H2,1-5H3,(H,15,16)
InChIKeyITBFWQBKMAKVIG-UHFFFAOYSA-N
XLogP2.66
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116672484
4-amino-2-(ethylamino)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116671287
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666497
4-amino-N-methyl-N-(3-methylbutan-2-yl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116670332
4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116671241
4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116670593
4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665637
4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116672171
4-amino-N-methyl-N-pentan-3-yl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670351
4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669628
4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116673876

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide (CID 116664355) is 4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)N(C)C(C)CC(C)C)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ITBFWQBKMAKVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-6-15-13-16-11(14)10(19-13)12(18)17(5)9(4)7-8(2)3/h8-9H,6-7,14H2,1-5H3,(H,15,16).
What are the key properties of 4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).