2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid

C12H17N3O2S — CID 82167561

IUPAC2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C12H17N3O2S/c16-11(17)8-14-4-6-15(7-5-14)12-13-9-2-1-3-10(9)18-12/h1-8H2,(H,16,17)
InChIKeySILNEHNJDNUMQR-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.84
Rot. Bonds3

About 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid

2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid (PubChem CID 82167561) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid
PubChem CID82167561
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C12H17N3O2S/c16-11(17)8-14-4-6-15(7-5-14)12-13-9-2-1-3-10(9)18-12/h1-8H2,(H,16,17)
InChIKeySILNEHNJDNUMQR-UHFFFAOYSA-N
XLogP0.84
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-1-yl]propanoic acid
CID 82167572
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 82167562
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 171335389
2-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62824679
2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165433014
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207453
6-methyl-2-[2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913805
2-[4-(4-chloro-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 83152482
2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid
CID 23441672
2-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetic acid
CID 65270203
2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid
CID 139573560
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid (CID 82167561) is 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid?
The InChIKey is SILNEHNJDNUMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-11(17)8-14-4-6-15(7-5-14)12-13-9-2-1-3-10(9)18-12/h1-8H2,(H,16,17).
What are the key properties of 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid?
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid has a molecular weight of 267.35 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 82167561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).