3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide

C13H20N4O2S — CID 103383893

IUPAC3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide
SMILESCC(O)C1CCN(c2snc(N)c2C(=O)NC2CC2)C1
InChIInChI=1S/C13H20N4O2S/c1-7(18)8-4-5-17(6-8)13-10(11(14)16-20-13)12(19)15-9-2-3-9/h7-9,18H,2-6H2,1H3,(H2,14,16)(H,15,19)
InChIKeyRXAFQSKMWALNHW-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.82
Rot. Bonds4

About 3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide (PubChem CID 103383893) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide
PubChem CID103383893
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide
SMILESCC(O)C1CCN(c2snc(N)c2C(=O)NC2CC2)C1
InChIInChI=1S/C13H20N4O2S/c1-7(18)8-4-5-17(6-8)13-10(11(14)16-20-13)12(19)15-9-2-3-9/h7-9,18H,2-6H2,1H3,(H2,14,16)(H,15,19)
InChIKeyRXAFQSKMWALNHW-UHFFFAOYSA-N
XLogP0.82
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclopropyl-5-(3-propylpyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103384031
3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103542356
3-amino-N-cyclopropyl-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380799
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
methyl 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384135
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
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
3-amino-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
CID 103384788
3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103379615
1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 103364994

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide (CID 103383893) is 3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide is CC(O)C1CCN(c2snc(N)c2C(=O)NC2CC2)C1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is RXAFQSKMWALNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-7(18)8-4-5-17(6-8)13-10(11(14)16-20-13)12(19)15-9-2-3-9/h7-9,18H,2-6H2,1H3,(H2,14,16)(H,15,19).
What are the key properties of 3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 0.82, 4 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-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).