N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide

C18H13N5O3S — CID 58552812

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide
SMILESCc1nc(C)c(-c2nc3c(NC(=O)c4cnccn4)cccc3c(=O)o2)s1
InChIInChI=1S/C18H13N5O3S/c1-9-15(27-10(2)21-9)17-23-14-11(18(25)26-17)4-3-5-12(14)22-16(24)13-8-19-6-7-20-13/h3-8H,1-2H3,(H,22,24)
InChIKeyTUDZAVZMARQIPG-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.97
Rot. Bonds3

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide (PubChem CID 58552812) has the molecular formula C18H13N5O3S and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide
PubChem CID58552812
Molecular FormulaC18H13N5O3S
Molecular Weight379.40 g/mol
Exact Mass379.07
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide
SMILESCc1nc(C)c(-c2nc3c(NC(=O)c4cnccn4)cccc3c(=O)o2)s1
InChIInChI=1S/C18H13N5O3S/c1-9-15(27-10(2)21-9)17-23-14-11(18(25)26-17)4-3-5-12(14)22-16(24)13-8-19-6-7-20-13/h3-8H,1-2H3,(H,22,24)
InChIKeyTUDZAVZMARQIPG-UHFFFAOYSA-N
XLogP2.97
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide (CID 58552812) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide is Cc1nc(C)c(-c2nc3c(NC(=O)c4cnccn4)cccc3c(=O)o2)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide?
The InChIKey is TUDZAVZMARQIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3S/c1-9-15(27-10(2)21-9)17-23-14-11(18(25)26-17)4-3-5-12(14)22-16(24)13-8-19-6-7-20-13/h3-8H,1-2H3,(H,22,24).
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-3,1-benzoxazin-8-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 58552812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).