4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide

C12H18N6OS — CID 116663571

IUPAC4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H18N6OS/c1-8(7-18-6-4-5-14-18)15-11(19)9-10(13)16-12(20-9)17(2)3/h4-6,8H,7,13H2,1-3H3,(H,15,19)
InChIKeyUOIIBOOABITKTP-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.81
Rot. Bonds5

About 4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116663571) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116663571
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H18N6OS/c1-8(7-18-6-4-5-14-18)15-11(19)9-10(13)16-12(20-9)17(2)3/h4-6,8H,7,13H2,1-3H3,(H,15,19)
InChIKeyUOIIBOOABITKTP-UHFFFAOYSA-N
XLogP0.81
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617127
4-amino-2-(dimethylamino)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 116666930
3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459817
4-amino-2-(dimethylamino)-N-(1-hydroxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106358502
4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
CID 116663662
4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide
CID 116663869
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 106347696
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide
CID 116672954
4-amino-2-(dimethylamino)-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-thiazole-5-carboxamide
CID 116664041
4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116673603
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide (CID 116663571) is 4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide is CC(Cn1cccn1)NC(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UOIIBOOABITKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-8(7-18-6-4-5-14-18)15-11(19)9-10(13)16-12(20-9)17(2)3/h4-6,8H,7,13H2,1-3H3,(H,15,19).
What are the key properties of 4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).