3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide

C12H18N4O2S — CID 103380603

IUPAC3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
SMILESNc1nsc(N2CCCC(O)C2)c1C(=O)NC1CC1
InChIInChI=1S/C12H18N4O2S/c13-10-9(11(18)14-7-3-4-7)12(19-15-10)16-5-1-2-8(17)6-16/h7-8,17H,1-6H2,(H2,13,15)(H,14,18)
InChIKeyTUQPMUHCOGSCDI-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.58
Rot. Bonds3

About 3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide (PubChem CID 103380603) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
PubChem CID103380603
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
SMILESNc1nsc(N2CCCC(O)C2)c1C(=O)NC1CC1
InChIInChI=1S/C12H18N4O2S/c13-10-9(11(18)14-7-3-4-7)12(19-15-10)16-5-1-2-8(17)6-16/h7-8,17H,1-6H2,(H2,13,15)(H,14,18)
InChIKeyTUQPMUHCOGSCDI-UHFFFAOYSA-N
XLogP0.58
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103542356
5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381010
3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide
CID 103383893
3-amino-N-cyclopropyl-5-(3-propylpyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103384031
3-amino-N-cyclopropyl-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380799
methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382204
3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103379447
methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382171
3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103380765
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026
1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)piperidin-3-ol
CID 103361617
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383282

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide (CID 103380603) is 3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide is Nc1nsc(N2CCCC(O)C2)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide?
The InChIKey is TUQPMUHCOGSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-10-9(11(18)14-7-3-4-7)12(19-15-10)16-5-1-2-8(17)6-16/h7-8,17H,1-6H2,(H2,13,15)(H,14,18).
What are the key properties of 3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).