(2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide

C19H21N5O3S — CID 97015276

IUPAC(2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide
SMILESNC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C19H21N5O3S/c20-16(25)6-7-21-18(27)15(10-13-4-2-1-3-5-13)23-17(26)11-14-12-24-8-9-28-19(24)22-14/h1-5,8-9,12,15H,6-7,10-11H2,(H2,20,25)(H,21,27)(H,23,26)/t15-/m1/s1
InChIKeyJZBOOOXJGDBRKZ-OAHLLOKOSA-N
MW399.48 g/mol
LogP0.66
Rot. Bonds9

About (2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide

(2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide (PubChem CID 97015276) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is (2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide
PubChem CID97015276
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name(2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide
SMILESNC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C19H21N5O3S/c20-16(25)6-7-21-18(27)15(10-13-4-2-1-3-5-13)23-17(26)11-14-12-24-8-9-28-19(24)22-14/h1-5,8-9,12,15H,6-7,10-11H2,(H2,20,25)(H,21,27)(H,23,26)/t15-/m1/s1
InChIKeyJZBOOOXJGDBRKZ-OAHLLOKOSA-N
XLogP0.66
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806275
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one
CID 116599074
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide
CID 166203175
1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116577576
N-(3,3-diphenylpropyl)-3-phenyl-2-[(2-phenylacetyl)amino]propanamide
CID 42696967
N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide
CID 55781902
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 96568619
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 22110735
2-(4-chlorophenyl)-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)acetohydrazide
CID 27683802
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide
CID 52569566
methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate
CID 7833140
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17439083

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide?
The IUPAC name of (2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide (CID 97015276) is (2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide?
The canonical SMILES for (2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide is NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of (2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide?
The InChIKey is JZBOOOXJGDBRKZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5O3S/c20-16(25)6-7-21-18(27)15(10-13-4-2-1-3-5-13)23-17(26)11-14-12-24-8-9-28-19(24)22-14/h1-5,8-9,12,15H,6-7,10-11H2,(H2,20,25)(H,21,27)(H,23,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide?
(2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide has a molecular weight of 399.48 g/mol, XLogP of 0.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 97015276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).