2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C13H19N3O3S — CID 64677667

IUPAC2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)CC2(N)CCCC2)sc1C(=O)O
InChIInChI=1S/C13H19N3O3S/c1-8-11(12(18)19)20-10(16-8)7-15-9(17)6-13(14)4-2-3-5-13/h2-7,14H2,1H3,(H,15,17)(H,18,19)
InChIKeySYPWXZYFPYEIDA-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.43
Rot. Bonds5

About 2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 64677667) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID64677667
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)CC2(N)CCCC2)sc1C(=O)O
InChIInChI=1S/C13H19N3O3S/c1-8-11(12(18)19)20-10(16-8)7-15-9(17)6-13(14)4-2-3-5-13/h2-7,14H2,1H3,(H,15,17)(H,18,19)
InChIKeySYPWXZYFPYEIDA-UHFFFAOYSA-N
XLogP1.43
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-aminopropanoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63627979
2-[[(3-amino-3-methylbutanoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64677668
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629010
2-[[(4-amino-3-methylbutanoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81079720
2-[(dimethylaminocarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83019638
2-[(cyclooctanecarbonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65019067
2-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65291094
4-methyl-2-[[[2-(oxolan-2-yl)acetyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 65157384
2-[(3-ethoxypropanoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 55248602
4-methyl-2-[(3,4,4-trimethylpentanoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63833751
2-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628853

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 64677667) is 2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)CC2(N)CCCC2)sc1C(=O)O.
What is the InChIKey of 2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is SYPWXZYFPYEIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-11(12(18)19)20-10(16-8)7-15-9(17)6-13(14)4-2-3-5-13/h2-7,14H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 64677667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).