N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide

C20H18FN7O2S — CID 87095359

IUPACN-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide
SMILESCc1nccnc1C(=O)N(C)C(C#N)c1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C20H18FN7O2S/c1-12-17(24-7-6-23-12)18(29)28(2)16(9-22)15-11-31-20(26-15)27-19(30)25-10-13-4-3-5-14(21)8-13/h3-8,11,16H,10H2,1-2H3,(H2,25,26,27,30)
InChIKeyAPAABBGWNFPZEW-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.04
Rot. Bonds6

About N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide

N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide (PubChem CID 87095359) has the molecular formula C20H18FN7O2S and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide
PubChem CID87095359
Molecular FormulaC20H18FN7O2S
Molecular Weight439.48 g/mol
Exact Mass439.12
IUPAC NameN-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide
SMILESCc1nccnc1C(=O)N(C)C(C#N)c1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C20H18FN7O2S/c1-12-17(24-7-6-23-12)18(29)28(2)16(9-22)15-11-31-20(26-15)27-19(30)25-10-13-4-3-5-14(21)8-13/h3-8,11,16H,10H2,1-2H3,(H2,25,26,27,30)
InChIKeyAPAABBGWNFPZEW-UHFFFAOYSA-N
XLogP3.04
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide 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

N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide
CID 25206964
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 25206797
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 25206308
N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
CID 90818494
1-[4-[(2,2-difluoroethylamino)methyl]-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 86661301
1-[(3-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]urea
CID 25205672
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87095159
2-cyano-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 91424075
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcyclopentanecarboxamide
CID 87095190
3,6-dichloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide
CID 87095254
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
CID 66663019

Frequently Asked Questions

What is the IUPAC name of N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide?
The IUPAC name of N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide (CID 87095359) is N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide?
The canonical SMILES for N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide is Cc1nccnc1C(=O)N(C)C(C#N)c1csc(NC(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide?
The InChIKey is APAABBGWNFPZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O2S/c1-12-17(24-7-6-23-12)18(29)28(2)16(9-22)15-11-31-20(26-15)27-19(30)25-10-13-4-3-5-14(21)8-13/h3-8,11,16H,10H2,1-2H3,(H2,25,26,27,30).
What are the key properties of N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide?
N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 87095359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).