N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide

C15H16N4OS — CID 122153049

IUPACN-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide
SMILESO=C(Nc1ncc(-c2cnccn2)s1)C1=CCCCCC1
InChIInChI=1S/C15H16N4OS/c20-14(11-5-3-1-2-4-6-11)19-15-18-10-13(21-15)12-9-16-7-8-17-12/h5,7-10H,1-4,6H2,(H,18,19,20)
InChIKeyKLAMQFQQMUJJIO-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.43
Rot. Bonds3

About N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide

N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide (PubChem CID 122153049) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide.

Molecular Properties

Compound NameN-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide
PubChem CID122153049
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide
SMILESO=C(Nc1ncc(-c2cnccn2)s1)C1=CCCCCC1
InChIInChI=1S/C15H16N4OS/c20-14(11-5-3-1-2-4-6-11)19-15-18-10-13(21-15)12-9-16-7-8-17-12/h5,7-10H,1-4,6H2,(H,18,19,20)
InChIKeyKLAMQFQQMUJJIO-UHFFFAOYSA-N
XLogP3.43
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide?
The IUPAC name of N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide (CID 122153049) is N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide.
What is the SMILES notation for N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide?
The canonical SMILES for N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide is O=C(Nc1ncc(-c2cnccn2)s1)C1=CCCCCC1.
What is the InChIKey of N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide?
The InChIKey is KLAMQFQQMUJJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c20-14(11-5-3-1-2-4-6-11)19-15-18-10-13(21-15)12-9-16-7-8-17-12/h5,7-10H,1-4,6H2,(H,18,19,20).
What are the key properties of N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide?
N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide is sourced from PubChem (CID 122153049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).