2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid

C11H13N3O2S — CID 115332454

IUPAC2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1cn2ccsc2n1)C1CC1
InChIInChI=1S/C11H13N3O2S/c15-10(16)9(7-1-2-7)12-5-8-6-14-3-4-17-11(14)13-8/h3-4,6-7,9,12H,1-2,5H2,(H,15,16)
InChIKeyPMSHMOFUQSNXRW-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.35
Rot. Bonds5

About 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid

2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid (PubChem CID 115332454) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid
PubChem CID115332454
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1cn2ccsc2n1)C1CC1
InChIInChI=1S/C11H13N3O2S/c15-10(16)9(7-1-2-7)12-5-8-6-14-3-4-17-11(14)13-8/h3-4,6-7,9,12H,1-2,5H2,(H,15,16)
InChIKeyPMSHMOFUQSNXRW-UHFFFAOYSA-N
XLogP1.35
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 81333671
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115332399
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-ol
CID 115828299
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
CID 82868834
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-1-ol
CID 115331507
1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332915
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid
CID 115331403
1-cyclopropyl-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 113289267

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid (CID 115332454) is 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid is O=C(O)C(NCc1cn2ccsc2n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid?
The InChIKey is PMSHMOFUQSNXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c15-10(16)9(7-1-2-7)12-5-8-6-14-3-4-17-11(14)13-8/h3-4,6-7,9,12H,1-2,5H2,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid?
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid has a molecular weight of 251.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid is sourced from PubChem (CID 115332454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).