N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide

C10H13N3O4S — CID 106671767

IUPACN-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CC(O)C(O)C2)cs1
InChIInChI=1S/C10H13N3O4S/c1-5(14)11-10-12-6(4-18-10)9(17)13-2-7(15)8(16)3-13/h4,7-8,15-16H,2-3H2,1H3,(H,11,12,14)
InChIKeyMQCMWLSETARZCD-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.72
Rot. Bonds2

About N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide

N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 106671767) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
PubChem CID106671767
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC NameN-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CC(O)C(O)C2)cs1
InChIInChI=1S/C10H13N3O4S/c1-5(14)11-10-12-6(4-18-10)9(17)13-2-7(15)8(16)3-13/h4,7-8,15-16H,2-3H2,1H3,(H,11,12,14)
InChIKeyMQCMWLSETARZCD-UHFFFAOYSA-N
XLogP-0.72
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide (CID 106671767) is N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CC(O)C(O)C2)cs1.
What is the InChIKey of N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MQCMWLSETARZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-5(14)11-10-12-6(4-18-10)9(17)13-2-7(15)8(16)3-13/h4,7-8,15-16H,2-3H2,1H3,(H,11,12,14).
What are the key properties of N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 271.30 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 106671767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).