N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C13H14N2O2S2 — CID 78956758

IUPACN-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC1(CNC(=O)c2csc(-c3cccs3)n2)COC1
InChIInChI=1S/C13H14N2O2S2/c1-13(7-17-8-13)6-14-11(16)9-5-19-12(15-9)10-3-2-4-18-10/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyHJKXNFURNHHKSZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.64
Rot. Bonds4

About N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 78956758) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID78956758
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC1(CNC(=O)c2csc(-c3cccs3)n2)COC1
InChIInChI=1S/C13H14N2O2S2/c1-13(7-17-8-13)6-14-11(16)9-5-19-12(15-9)10-3-2-4-18-10/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyHJKXNFURNHHKSZ-UHFFFAOYSA-N
XLogP2.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 103954321
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 107260979
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55659916
N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 114550416
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 111481518
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70753289
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate
CID 37258646

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 78956758) is N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CC1(CNC(=O)c2csc(-c3cccs3)n2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HJKXNFURNHHKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-13(7-17-8-13)6-14-11(16)9-5-19-12(15-9)10-3-2-4-18-10/h2-5H,6-8H2,1H3,(H,14,16).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78956758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).