N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide

C19H21N5O2S — CID 72866619

IUPACN-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide
SMILESCC(NC(=O)Nc1ccc(CC(=O)NC2CC2)cc1)c1cn2ccsc2n1
InChIInChI=1S/C19H21N5O2S/c1-12(16-11-24-8-9-27-19(24)23-16)20-18(26)22-15-4-2-13(3-5-15)10-17(25)21-14-6-7-14/h2-5,8-9,11-12,14H,6-7,10H2,1H3,(H,21,25)(H2,20,22,26)
InChIKeyGZDALOJXLDKXMH-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.10
Rot. Bonds6

About N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide

N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide (PubChem CID 72866619) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide
PubChem CID72866619
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide
SMILESCC(NC(=O)Nc1ccc(CC(=O)NC2CC2)cc1)c1cn2ccsc2n1
InChIInChI=1S/C19H21N5O2S/c1-12(16-11-24-8-9-27-19(24)23-16)20-18(26)22-15-4-2-13(3-5-15)10-17(25)21-14-6-7-14/h2-5,8-9,11-12,14H,6-7,10H2,1H3,(H,21,25)(H2,20,22,26)
InChIKeyGZDALOJXLDKXMH-UHFFFAOYSA-N
XLogP3.10
TPSA87.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-morpholin-4-ylacetamide
CID 118773641
N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide
CID 115331723
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-(2-methyl-4-oxoquinolin-1-yl)acetamide
CID 91781647
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 131895570
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-cyclopropyl-2-[4-[[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
CID 131947902
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine
CID 56719293
N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95201180
(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
CID 25346335
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide (CID 72866619) is N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide is CC(NC(=O)Nc1ccc(CC(=O)NC2CC2)cc1)c1cn2ccsc2n1.
What is the InChIKey of N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide?
The InChIKey is GZDALOJXLDKXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12(16-11-24-8-9-27-19(24)23-16)20-18(26)22-15-4-2-13(3-5-15)10-17(25)21-14-6-7-14/h2-5,8-9,11-12,14H,6-7,10H2,1H3,(H,21,25)(H2,20,22,26).
What are the key properties of N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide?
N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide has a molecular weight of 383.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 72866619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).