N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide

C14H18N2O2S — CID 72853939

IUPACN-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCCc2ccc(C)o2)cs1
InChIInChI=1S/C14H18N2O2S/c1-3-4-13-16-12(9-19-13)14(17)15-8-7-11-6-5-10(2)18-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyHPWJYUSFJMIFCZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide

N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 72853939) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID72853939
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCCc2ccc(C)o2)cs1
InChIInChI=1S/C14H18N2O2S/c1-3-4-13-16-12(9-19-13)14(17)15-8-7-11-6-5-10(2)18-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyHPWJYUSFJMIFCZ-UHFFFAOYSA-N
XLogP2.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66376144
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72867403
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72882189
4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158295
ethyl 4-[(5-methylfuran-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697972
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
4-methoxy-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
CID 91778944
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72895081
N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 110872482
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119434138
2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662
2-[2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373092

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 72853939) is N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NCCc2ccc(C)o2)cs1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is HPWJYUSFJMIFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-4-13-16-12(9-19-13)14(17)15-8-7-11-6-5-10(2)18-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72853939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).