4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide

C13H25N5OS — CID 116663869

IUPAC4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C13H25N5OS/c1-8(2)9(7-17(3)4)15-12(19)10-11(14)16-13(20-10)18(5)6/h8-9H,7,14H2,1-6H3,(H,15,19)
InChIKeyRLRYEHHMXUGBAC-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.11
Rot. Bonds6

About 4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 116663869) has the molecular formula C13H25N5OS and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID116663869
Molecular FormulaC13H25N5OS
Molecular Weight299.44 g/mol
Exact Mass299.18
IUPAC Name4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C13H25N5OS/c1-8(2)9(7-17(3)4)15-12(19)10-11(14)16-13(20-10)18(5)6/h8-9H,7,14H2,1-6H3,(H,15,19)
InChIKeyRLRYEHHMXUGBAC-UHFFFAOYSA-N
XLogP1.11
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
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4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663725
4-amino-2-(dimethylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
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4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671207
4-amino-2-(dimethylamino)-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-thiazole-5-carboxamide
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4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide
CID 106233153
4-amino-2-(dimethylamino)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 116666930
4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116663571
4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116664385
4-amino-2-(dimethylamino)-N-[3-(2-methylpropylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide (CID 116663869) is 4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide is CC(C)C(CN(C)C)NC(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is RLRYEHHMXUGBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5OS/c1-8(2)9(7-17(3)4)15-12(19)10-11(14)16-13(20-10)18(5)6/h8-9H,7,14H2,1-6H3,(H,15,19).
What are the key properties of 4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).