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

C12H22N4O2S — CID 116672485

IUPAC4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)N(C)C(C)CO)s1
InChIInChI=1S/C12H22N4O2S/c1-5-6-15(3)12-14-10(13)9(19-12)11(18)16(4)8(2)7-17/h8,17H,5-7,13H2,1-4H3
InChIKeyNQGWXMDQSVMGDO-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.02
Rot. Bonds6

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

4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116672485) 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-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116672485
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)N(C)C(C)CO)s1
InChIInChI=1S/C12H22N4O2S/c1-5-6-15(3)12-14-10(13)9(19-12)11(18)16(4)8(2)7-17/h8,17H,5-7,13H2,1-4H3
InChIKeyNQGWXMDQSVMGDO-UHFFFAOYSA-N
XLogP1.02
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116664295
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671207
4-amino-N-(5-hydroxy-4-methylpentyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106163760
4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
CID 116669530
4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116672366
4-amino-N-(2-cyclopropylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672850
4-amino-N-(3-methylbut-2-enyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106199031
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672818
4-amino-N-(2-methyl-3-methylsulfanylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116666557
4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671824
4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116672484
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116663495

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (CID 116672485) is 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(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-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is NQGWXMDQSVMGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-6-15(3)12-14-10(13)9(19-12)11(18)16(4)8(2)7-17/h8,17H,5-7,13H2,1-4H3.
What are the key properties of 4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 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-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).