N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C22H21FN6O2S2 — CID 24860561

IUPACN-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC[C@@H]1CCCN1C(=O)c1nc(N)sc1-c1cccc(F)c1
InChIInChI=1S/C22H21FN6O2S2/c1-12-17(29-8-9-32-22(29)26-12)19(30)25-11-15-6-3-7-28(15)20(31)16-18(33-21(24)27-16)13-4-2-5-14(23)10-13/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H2,24,27)(H,25,30)/t15-/m0/s1
InChIKeyFJVZOZMBZXBXIS-HNNXBMFYSA-N
MW484.58 g/mol
LogP3.58
Rot. Bonds5

About N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 24860561) has the molecular formula C22H21FN6O2S2 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID24860561
Molecular FormulaC22H21FN6O2S2
Molecular Weight484.58 g/mol
Exact Mass484.12
IUPAC NameN-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC[C@@H]1CCCN1C(=O)c1nc(N)sc1-c1cccc(F)c1
InChIInChI=1S/C22H21FN6O2S2/c1-12-17(29-8-9-32-22(29)26-12)19(30)25-11-15-6-3-7-28(15)20(31)16-18(33-21(24)27-16)13-4-2-5-14(23)10-13/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H2,24,27)(H,25,30)/t15-/m0/s1
InChIKeyFJVZOZMBZXBXIS-HNNXBMFYSA-N
XLogP3.58
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 24860561) is N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NC[C@@H]1CCCN1C(=O)c1nc(N)sc1-c1cccc(F)c1.
What is the InChIKey of N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is FJVZOZMBZXBXIS-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21FN6O2S2/c1-12-17(29-8-9-32-22(29)26-12)19(30)25-11-15-6-3-7-28(15)20(31)16-18(33-21(24)27-16)13-4-2-5-14(23)10-13/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H2,24,27)(H,25,30)/t15-/m0/s1.
What are the key properties of N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 24860561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).