4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C12H21N5O2S — CID 116669894

IUPAC4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)N(C)CC(=O)N(C)C)s1
InChIInChI=1S/C12H21N5O2S/c1-7(2)14-12-15-10(13)9(20-12)11(19)17(5)6-8(18)16(3)4/h7H,6,13H2,1-5H3,(H,14,15)
InChIKeyIWHHYYGBBAGMQB-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.71
Rot. Bonds5

About 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116669894) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116669894
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)N(C)CC(=O)N(C)C)s1
InChIInChI=1S/C12H21N5O2S/c1-7(2)14-12-15-10(13)9(20-12)11(19)17(5)6-8(18)16(3)4/h7H,6,13H2,1-5H3,(H,14,15)
InChIKeyIWHHYYGBBAGMQB-UHFFFAOYSA-N
XLogP0.71
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669861
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666292
4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116671321
4-amino-N-methyl-N-pentan-3-yl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670351
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664669
4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664452
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664503
4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664402
4-amino-N-propan-2-yl-2-(propan-2-ylamino)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672134
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116665759

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116669894) is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)N(C)CC(=O)N(C)C)s1.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is IWHHYYGBBAGMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-7(2)14-12-15-10(13)9(20-12)11(19)17(5)6-8(18)16(3)4/h7H,6,13H2,1-5H3,(H,14,15).
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).