2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide

C13H17N3O2S — CID 86917359

IUPAC2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C13H17N3O2S/c1-9(2)16(7-12(14)17)6-10-8-19-13(15-10)11-4-3-5-18-11/h3-5,8-9H,6-7H2,1-2H3,(H2,14,17)
InChIKeyMCZAVIQWSNZNRQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.10
Rot. Bonds6

About 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide (PubChem CID 86917359) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
PubChem CID86917359
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C13H17N3O2S/c1-9(2)16(7-12(14)17)6-10-8-19-13(15-10)11-4-3-5-18-11/h3-5,8-9H,6-7H2,1-2H3,(H2,14,17)
InChIKeyMCZAVIQWSNZNRQ-UHFFFAOYSA-N
XLogP2.10
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol
CID 111488713
4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile
CID 86869612
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573534
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide
CID 86926139
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 134033866
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 60833022
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
N-(2-amino-2-oxoethoxy)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 112550759
methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate
CID 60766057

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide (CID 86917359) is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)Cc1csc(-c2ccco2)n1.
What is the InChIKey of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide?
The InChIKey is MCZAVIQWSNZNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(2)16(7-12(14)17)6-10-8-19-13(15-10)11-4-3-5-18-11/h3-5,8-9H,6-7H2,1-2H3,(H2,14,17).
What are the key properties of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide?
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide has a molecular weight of 279.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 86917359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).