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

C16H16N2O2S2 — CID 48866039

IUPACN-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CN(Cc2ccco2)C(=O)c2scnc2C)s1
InChIInChI=1S/C16H16N2O2S2/c1-11-5-6-14(22-11)9-18(8-13-4-3-7-20-13)16(19)15-12(2)17-10-21-15/h3-7,10H,8-9H2,1-2H3
InChIKeyMWPVEPGIJXTJSA-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.26
Rot. Bonds5

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

N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 48866039) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID48866039
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CN(Cc2ccco2)C(=O)c2scnc2C)s1
InChIInChI=1S/C16H16N2O2S2/c1-11-5-6-14(22-11)9-18(8-13-4-3-7-20-13)16(19)15-12(2)17-10-21-15/h3-7,10H,8-9H2,1-2H3
InChIKeyMWPVEPGIJXTJSA-UHFFFAOYSA-N
XLogP4.26
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 48866071
4-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673186
N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide
CID 138034221
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 31834733
N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 50956140
N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 48866094
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 18157870
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 86944481
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 78899836

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 48866039) is N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1ccc(CN(Cc2ccco2)C(=O)c2scnc2C)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MWPVEPGIJXTJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-11-5-6-14(22-11)9-18(8-13-4-3-7-20-13)16(19)15-12(2)17-10-21-15/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48866039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).