N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide

C16H14ClN5OS — CID 25218461

IUPACN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESC[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncs2)c1
InChIInChI=1S/C16H14ClN5OS/c1-10(20-15-8-18-7-14(17)22-15)11-3-2-4-12(5-11)21-16(23)13-6-19-9-24-13/h2-10H,1H3,(H,20,22)(H,21,23)/t10-/m0/s1
InChIKeyGSWJYMOWSZNVFF-JTQLQIEISA-N
MW359.84 g/mol
LogP4.01
Rot. Bonds5

About N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide

N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 25218461) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID25218461
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESC[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncs2)c1
InChIInChI=1S/C16H14ClN5OS/c1-10(20-15-8-18-7-14(17)22-15)11-3-2-4-12(5-11)21-16(23)13-6-19-9-24-13/h2-10H,1H3,(H,20,22)(H,21,23)/t10-/m0/s1
InChIKeyGSWJYMOWSZNVFF-JTQLQIEISA-N
XLogP4.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide (CID 25218461) is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide is C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncs2)c1.
What is the InChIKey of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GSWJYMOWSZNVFF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-10(20-15-8-18-7-14(17)22-15)11-3-2-4-12(5-11)21-16(23)13-6-19-9-24-13/h2-10H,1H3,(H,20,22)(H,21,23)/t10-/m0/s1.
What are the key properties of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide?
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25218461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).