2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide

C14H16N2O3S2 — CID 111597345

IUPAC2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)NCC1(O)CCSC1
InChIInChI=1S/C14H16N2O3S2/c1-9-11(16-13(21-9)10-3-2-5-19-10)12(17)15-7-14(18)4-6-20-8-14/h2-3,5,18H,4,6-8H2,1H3,(H,15,17)
InChIKeyMRESBYMUVWRXJP-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.31
Rot. Bonds4

About 2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 111597345) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID111597345
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)NCC1(O)CCSC1
InChIInChI=1S/C14H16N2O3S2/c1-9-11(16-13(21-9)10-3-2-5-19-10)12(17)15-7-14(18)4-6-20-8-14/h2-3,5,18H,4,6-8H2,1H3,(H,15,17)
InChIKeyMRESBYMUVWRXJP-UHFFFAOYSA-N
XLogP2.31
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 78956621
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1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
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N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
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2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 134054764
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CID 51934328
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CID 107299887
N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610162
2-(furan-2-yl)-5-methyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55893940
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484864
2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide (CID 111597345) is 2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)NCC1(O)CCSC1.
What is the InChIKey of 2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is MRESBYMUVWRXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-11(16-13(21-9)10-3-2-5-19-10)12(17)15-7-14(18)4-6-20-8-14/h2-3,5,18H,4,6-8H2,1H3,(H,15,17).
What are the key properties of 2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111597345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).