N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide

C11H18N2O3S — CID 74232510

IUPACN-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)sc1C(=O)N(C)CC(O)CO
InChIInChI=1S/C11H18N2O3S/c1-4-9-10(17-7(2)12-9)11(16)13(3)5-8(15)6-14/h8,14-15H,4-6H2,1-3H3
InChIKeyYFKWACHJXGTYFU-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.44
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide

N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 74232510) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID74232510
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)sc1C(=O)N(C)CC(O)CO
InChIInChI=1S/C11H18N2O3S/c1-4-9-10(17-7(2)12-9)11(16)13(3)5-8(15)6-14/h8,14-15H,4-6H2,1-3H3
InChIKeyYFKWACHJXGTYFU-UHFFFAOYSA-N
XLogP0.44
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide (CID 74232510) is N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide is CCc1nc(C)sc1C(=O)N(C)CC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YFKWACHJXGTYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-4-9-10(17-7(2)12-9)11(16)13(3)5-8(15)6-14/h8,14-15H,4-6H2,1-3H3.
What are the key properties of N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide?
N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 258.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-4-ethyl-N,2-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 74232510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).