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

C11H12N2O2S — CID 63049931

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cscn2)o1
InChIInChI=1S/C11H12N2O2S/c1-7-3-4-10(15-7)8(2)13-11(14)9-5-16-6-12-9/h3-6,8H,1-2H3,(H,13,14)
InChIKeySRHXUKWOZMOTQZ-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.54
Rot. Bonds3

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

N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 63049931) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID63049931
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cscn2)o1
InChIInChI=1S/C11H12N2O2S/c1-7-3-4-10(15-7)8(2)13-11(14)9-5-16-6-12-9/h3-6,8H,1-2H3,(H,13,14)
InChIKeySRHXUKWOZMOTQZ-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63049969
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 47209094
5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 94177083
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-[1-(5-methylfuran-2-yl)ethyl]quinoxaline-2-carboxamide
CID 46443465
N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 134046822
N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037034
5-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
CID 63722692
N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037033
N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047661
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 63049931) is N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1ccc(C(C)NC(=O)c2cscn2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SRHXUKWOZMOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-3-4-10(15-7)8(2)13-11(14)9-5-16-6-12-9/h3-6,8H,1-2H3,(H,13,14).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).