2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid

C10H14N2O2S — CID 80568615

IUPAC2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC1(Nc2nc(C(=O)O)cs2)CCCC1
InChIInChI=1S/C10H14N2O2S/c1-10(4-2-3-5-10)12-9-11-7(6-15-9)8(13)14/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyPGEAUPRFTNWISZ-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.59
Rot. Bonds3

About 2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid

2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80568615) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID80568615
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC1(Nc2nc(C(=O)O)cs2)CCCC1
InChIInChI=1S/C10H14N2O2S/c1-10(4-2-3-5-10)12-9-11-7(6-15-9)8(13)14/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyPGEAUPRFTNWISZ-UHFFFAOYSA-N
XLogP2.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1-adamantyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569218
2-hydrazinyl-1,3-thiazole-4-carboxylic acid
CID 15074804
2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid
CID 107553435
2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
CID 86670247
2-[[(1-methylcycloheptanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527099
2-(3-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 86670251
2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 175331559
4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid
CID 130580837
methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 114114668
2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 62787757
2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 28858154
2-[1-[(4-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]acetic acid
CID 64699603

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid (CID 80568615) is 2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid is CC1(Nc2nc(C(=O)O)cs2)CCCC1.
What is the InChIKey of 2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PGEAUPRFTNWISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-10(4-2-3-5-10)12-9-11-7(6-15-9)8(13)14/h6H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid?
2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).