4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C11H16F2N4O2S — CID 106174581

IUPAC4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCCC2)sc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H16F2N4O2S/c12-11(13,6-18)5-15-9(19)7-8(14)16-10(20-7)17-3-1-2-4-17/h18H,1-6,14H2,(H,15,19)
InChIKeyDSRXAPPGHBITGP-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.68
Rot. Bonds5

About 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 106174581) has the molecular formula C11H16F2N4O2S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID106174581
Molecular FormulaC11H16F2N4O2S
Molecular Weight306.34 g/mol
Exact Mass306.10
IUPAC Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCCC2)sc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H16F2N4O2S/c12-11(13,6-18)5-15-9(19)7-8(14)16-10(20-7)17-3-1-2-4-17/h18H,1-6,14H2,(H,15,19)
InChIKeyDSRXAPPGHBITGP-UHFFFAOYSA-N
XLogP0.68
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 106174581) is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is Nc1nc(N2CCCC2)sc1C(=O)NCC(F)(F)CO.
What is the InChIKey of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DSRXAPPGHBITGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O2S/c12-11(13,6-18)5-15-9(19)7-8(14)16-10(20-7)17-3-1-2-4-17/h18H,1-6,14H2,(H,15,19).
What are the key properties of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106174581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).