2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide

C16H17N5O2S — CID 166203175

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide
SMILESCC(NC(=O)NCc1cn2ccsc2n1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H17N5O2S/c1-11(14(22)19-12-5-3-2-4-6-12)18-15(23)17-9-13-10-21-7-8-24-16(21)20-13/h2-8,10-11H,9H2,1H3,(H,19,22)(H2,17,18,23)
InChIKeyBQRBDPYZPRQCJV-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.22
Rot. Bonds5

About 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide (PubChem CID 166203175) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide
PubChem CID166203175
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide
SMILESCC(NC(=O)NCc1cn2ccsc2n1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H17N5O2S/c1-11(14(22)19-12-5-3-2-4-6-12)18-15(23)17-9-13-10-21-7-8-24-16(21)20-13/h2-8,10-11H,9H2,1H3,(H,19,22)(H2,17,18,23)
InChIKeyBQRBDPYZPRQCJV-UHFFFAOYSA-N
XLogP2.22
TPSA87.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea
CID 96520050
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949083
4-acetamido-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134027726
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
CID 115331463
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide
CID 52569566
N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55827901
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one
CID 116599074
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817382
N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55560638

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide (CID 166203175) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide is CC(NC(=O)NCc1cn2ccsc2n1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide?
The InChIKey is BQRBDPYZPRQCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-11(14(22)19-12-5-3-2-4-6-12)18-15(23)17-9-13-10-21-7-8-24-16(21)20-13/h2-8,10-11H,9H2,1H3,(H,19,22)(H2,17,18,23).
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide has a molecular weight of 343.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide is sourced from PubChem (CID 166203175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).