4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide

C12H22N4O2S — CID 116672484

IUPAC4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)N(C)C(C)CO)s1
InChIInChI=1S/C12H22N4O2S/c1-7(2)5-14-12-15-10(13)9(19-12)11(18)16(4)8(3)6-17/h7-8,17H,5-6,13H2,1-4H3,(H,14,15)
InChIKeyIMIVWRBEJXEGIK-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.25
Rot. Bonds6

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

4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116672484) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
PubChem CID116672484
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)N(C)C(C)CO)s1
InChIInChI=1S/C12H22N4O2S/c1-7(2)5-14-12-15-10(13)9(19-12)11(18)16(4)8(3)6-17/h7-8,17H,5-6,13H2,1-4H3,(H,14,15)
InChIKeyIMIVWRBEJXEGIK-UHFFFAOYSA-N
XLogP1.25
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-methyl-N-(3-methylbutan-2-yl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116670332
4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669628
4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664355
4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116673876
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116664589
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116665523
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 107855762
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672485
4-amino-N-(cyclopentylmethyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669781
4-amino-N-methyl-N-pentan-3-yl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670351

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide (CID 116672484) is 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide is CC(C)CNc1nc(N)c(C(=O)N(C)C(C)CO)s1.
What is the InChIKey of 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is IMIVWRBEJXEGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-7(2)5-14-12-15-10(13)9(19-12)11(18)16(4)8(3)6-17/h7-8,17H,5-6,13H2,1-4H3,(H,14,15).
What are the key properties of 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).