1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid

C14H14N2O3S2 — CID 115450030

IUPAC1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H14N2O3S2/c17-11(15-8-14(2-3-14)13(18)19)5-10-7-21-12(16-10)9-1-4-20-6-9/h1,4,6-7H,2-3,5,8H2,(H,15,17)(H,18,19)
InChIKeyXLXODHFSNPQXLC-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.40
Rot. Bonds6

About 1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450030) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450030
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H14N2O3S2/c17-11(15-8-14(2-3-14)13(18)19)5-10-7-21-12(16-10)9-1-4-20-6-9/h1,4,6-7H,2-3,5,8H2,(H,15,17)(H,18,19)
InChIKeyXLXODHFSNPQXLC-UHFFFAOYSA-N
XLogP2.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 114751577
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 103849592
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
1-[[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544926
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 32982193
2-methoxy-3-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 106107521
N-(3-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 115703692
N-(4-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 107300543
1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309066
N-[2-(2-methylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18114604

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115450030) is 1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid is O=C(Cc1csc(-c2ccsc2)n1)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is XLXODHFSNPQXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c17-11(15-8-14(2-3-14)13(18)19)5-10-7-21-12(16-10)9-1-4-20-6-9/h1,4,6-7H,2-3,5,8H2,(H,15,17)(H,18,19).
What are the key properties of 1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 322.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).