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

C9H14N2O3S — CID 75522358

IUPACN-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide
SMILESCCc1cnc(C(=O)NCC(O)CO)s1
InChIInChI=1S/C9H14N2O3S/c1-2-7-4-11-9(15-7)8(14)10-3-6(13)5-12/h4,6,12-13H,2-3,5H2,1H3,(H,10,14)
InChIKeyXUBRRQPINNFQOJ-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.21
Rot. Bonds5

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

N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide (PubChem CID 75522358) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide
PubChem CID75522358
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide
SMILESCCc1cnc(C(=O)NCC(O)CO)s1
InChIInChI=1S/C9H14N2O3S/c1-2-7-4-11-9(15-7)8(14)10-3-6(13)5-12/h4,6,12-13H,2-3,5H2,1H3,(H,10,14)
InChIKeyXUBRRQPINNFQOJ-UHFFFAOYSA-N
XLogP-0.21
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide (CID 75522358) is N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide is CCc1cnc(C(=O)NCC(O)CO)s1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide?
The InChIKey is XUBRRQPINNFQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-2-7-4-11-9(15-7)8(14)10-3-6(13)5-12/h4,6,12-13H,2-3,5H2,1H3,(H,10,14).
What are the key properties of N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide?
N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide has a molecular weight of 230.29 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 75522358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).