N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

C21H22N6O3S2 — CID 155734044

IUPACN-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC3(c4csc(NS(=O)C5CC5)n4)CC3)nc2)n1
InChIInChI=1S/C21H22N6O3S2/c1-2-30-18-11-22-10-16(24-18)13-3-6-15(23-9-13)19(28)26-21(7-8-21)17-12-31-20(25-17)27-32(29)14-4-5-14/h3,6,9-12,14H,2,4-5,7-8H2,1H3,(H,25,27)(H,26,28)
InChIKeyCAAWGTPRZDRWRE-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.05
Rot. Bonds9

About N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 155734044) has the molecular formula C21H22N6O3S2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
PubChem CID155734044
Molecular FormulaC21H22N6O3S2
Molecular Weight470.58 g/mol
Exact Mass470.12
IUPAC NameN-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC3(c4csc(NS(=O)C5CC5)n4)CC3)nc2)n1
InChIInChI=1S/C21H22N6O3S2/c1-2-30-18-11-22-10-16(24-18)13-3-6-15(23-9-13)19(28)26-21(7-8-21)17-12-31-20(25-17)27-32(29)14-4-5-14/h3,6,9-12,14H,2,4-5,7-8H2,1H3,(H,25,27)(H,26,28)
InChIKeyCAAWGTPRZDRWRE-UHFFFAOYSA-N
XLogP3.05
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (CID 155734044) is N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is CCOc1cncc(-c2ccc(C(=O)NC3(c4csc(NS(=O)C5CC5)n4)CC3)nc2)n1.
What is the InChIKey of N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The InChIKey is CAAWGTPRZDRWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S2/c1-2-30-18-11-22-10-16(24-18)13-3-6-15(23-9-13)19(28)26-21(7-8-21)17-12-31-20(25-17)27-32(29)14-4-5-14/h3,6,9-12,14H,2,4-5,7-8H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 155734044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).