N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

C18H17N5O2S — CID 124566211

IUPACN-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1csc(-c2cnccn2)n1
InChIInChI=1S/C18H17N5O2S/c24-17(15-11-26-18(23-15)14-9-19-5-6-21-14)22-13-3-1-12(2-4-13)16-10-20-7-8-25-16/h1-6,9,11,16,20H,7-8,10H2,(H,22,24)/t16-/m1/s1
InChIKeyZVLYZQAHGMPBJX-MRXNPFEDSA-N
MW367.43 g/mol
LogP2.51
Rot. Bonds4

About N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 124566211) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID124566211
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1csc(-c2cnccn2)n1
InChIInChI=1S/C18H17N5O2S/c24-17(15-11-26-18(23-15)14-9-19-5-6-21-14)22-13-3-1-12(2-4-13)16-10-20-7-8-25-16/h1-6,9,11,16,20H,7-8,10H2,(H,22,24)/t16-/m1/s1
InChIKeyZVLYZQAHGMPBJX-MRXNPFEDSA-N
XLogP2.51
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide (CID 124566211) is N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1csc(-c2cnccn2)n1.
What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZVLYZQAHGMPBJX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-17(15-11-26-18(23-15)14-9-19-5-6-21-14)22-13-3-1-12(2-4-13)16-10-20-7-8-25-16/h1-6,9,11,16,20H,7-8,10H2,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 124566211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).