1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide

C12H13N3O2S — CID 86784166

IUPAC1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide
SMILESNC(=O)C1(NCc2csc(-c3ccoc3)n2)CC1
InChIInChI=1S/C12H13N3O2S/c13-11(16)12(2-3-12)14-5-9-7-18-10(15-9)8-1-4-17-6-8/h1,4,6-7,14H,2-3,5H2,(H2,13,16)
InChIKeyBCEBATWQMNWXQY-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.51
Rot. Bonds5

About 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide

1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide (PubChem CID 86784166) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide
PubChem CID86784166
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide
SMILESNC(=O)C1(NCc2csc(-c3ccoc3)n2)CC1
InChIInChI=1S/C12H13N3O2S/c13-11(16)12(2-3-12)14-5-9-7-18-10(15-9)8-1-4-17-6-8/h1,4,6-7,14H,2-3,5H2,(H2,13,16)
InChIKeyBCEBATWQMNWXQY-UHFFFAOYSA-N
XLogP1.51
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484822
N-[1-(aminomethyl)cyclopentyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119566614
2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111484969
1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81167912
2-(furan-3-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111596989
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502086
4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole
CID 166559603
N-[2-(ethylamino)ethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119506982
4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229272
3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249390
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484065
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120829889

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide?
The IUPAC name of 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide (CID 86784166) is 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide is NC(=O)C1(NCc2csc(-c3ccoc3)n2)CC1.
What is the InChIKey of 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide?
The InChIKey is BCEBATWQMNWXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-11(16)12(2-3-12)14-5-9-7-18-10(15-9)8-1-4-17-6-8/h1,4,6-7,14H,2-3,5H2,(H2,13,16).
What are the key properties of 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide?
1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 86784166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).