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

C12H18N4O2S — CID 103542356

IUPAC3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
SMILESCOC1CCN(c2snc(N)c2C(=O)NC2CC2)C1
InChIInChI=1S/C12H18N4O2S/c1-18-8-4-5-16(6-8)12-9(10(13)15-19-12)11(17)14-7-2-3-7/h7-8H,2-6H2,1H3,(H2,13,15)(H,14,17)
InChIKeyZPPRSWJFNLXYEZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.84
Rot. Bonds4

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

3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide (PubChem CID 103542356) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
PubChem CID103542356
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
SMILESCOC1CCN(c2snc(N)c2C(=O)NC2CC2)C1
InChIInChI=1S/C12H18N4O2S/c1-18-8-4-5-16(6-8)12-9(10(13)15-19-12)11(17)14-7-2-3-7/h7-8H,2-6H2,1H3,(H2,13,15)(H,14,17)
InChIKeyZPPRSWJFNLXYEZ-UHFFFAOYSA-N
XLogP0.84
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381010
3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380603
3-amino-N-cyclopropyl-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380799
methyl 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384135
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026
4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103542353
3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103379447
3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103380765
methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382204
3-amino-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
CID 103384788

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide (CID 103542356) is 3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide is COC1CCN(c2snc(N)c2C(=O)NC2CC2)C1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide?
The InChIKey is ZPPRSWJFNLXYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-18-8-4-5-16(6-8)12-9(10(13)15-19-12)11(17)14-7-2-3-7/h7-8H,2-6H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103542356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).