2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid

C13H16N4O3S — CID 115331403

IUPAC2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NCc1cn2ccsc2n1)(C(=O)O)C1CC1
InChIInChI=1S/C13H16N4O3S/c1-13(10(18)19,8-2-3-8)16-11(20)14-6-9-7-17-4-5-21-12(17)15-9/h4-5,7-8H,2-3,6H2,1H3,(H,18,19)(H2,14,16,20)
InChIKeyLNZOXUVFRCNFLG-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.45
Rot. Bonds5

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

2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid (PubChem CID 115331403) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid
PubChem CID115331403
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NCc1cn2ccsc2n1)(C(=O)O)C1CC1
InChIInChI=1S/C13H16N4O3S/c1-13(10(18)19,8-2-3-8)16-11(20)14-6-9-7-17-4-5-21-12(17)15-9/h4-5,7-8H,2-3,6H2,1H3,(H,18,19)(H2,14,16,20)
InChIKeyLNZOXUVFRCNFLG-UHFFFAOYSA-N
XLogP1.45
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 134027782
N-tert-butyl-2-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine
CID 83159614
2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid
CID 79793246
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea
CID 96520050
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid
CID 115332454
3-cyclopropyl-3-hydroxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidine-1-carboxamide
CID 154799179
4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332906
N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31563729
6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334166
1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
CID 71985729
1-(cyclopropylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115335079
2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid
CID 113288980

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid (CID 115331403) is 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid is CC(NC(=O)NCc1cn2ccsc2n1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is LNZOXUVFRCNFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-13(10(18)19,8-2-3-8)16-11(20)14-6-9-7-17-4-5-21-12(17)15-9/h4-5,7-8H,2-3,6H2,1H3,(H,18,19)(H2,14,16,20).
What are the key properties of 2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid?
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 308.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 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-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 115331403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).