2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide

C19H19N5O3S2 — CID 138673917

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide
SMILESCC(C(N)=O)(c1ccc(-c2cccnc2)nc1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C19H19N5O3S2/c1-19(17(20)25,13-4-7-15(22-10-13)12-3-2-8-21-9-12)16-11-28-18(23-16)24-29(26,27)14-5-6-14/h2-4,7-11,14H,5-6H2,1H3,(H2,20,25)(H,23,24)
InChIKeySQQMAFUGXBWJFW-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.30
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide (PubChem CID 138673917) has the molecular formula C19H19N5O3S2 and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide
PubChem CID138673917
Molecular FormulaC19H19N5O3S2
Molecular Weight429.53 g/mol
Exact Mass429.09
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide
SMILESCC(C(N)=O)(c1ccc(-c2cccnc2)nc1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C19H19N5O3S2/c1-19(17(20)25,13-4-7-15(22-10-13)12-3-2-8-21-9-12)16-11-28-18(23-16)24-29(26,27)14-5-6-14/h2-4,7-11,14H,5-6H2,1H3,(H2,20,25)(H,23,24)
InChIKeySQQMAFUGXBWJFW-UHFFFAOYSA-N
XLogP2.30
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide (CID 138673917) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide is CC(C(N)=O)(c1ccc(-c2cccnc2)nc1)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide?
The InChIKey is SQQMAFUGXBWJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S2/c1-19(17(20)25,13-4-7-15(22-10-13)12-3-2-8-21-9-12)16-11-28-18(23-16)24-29(26,27)14-5-6-14/h2-4,7-11,14H,5-6H2,1H3,(H2,20,25)(H,23,24).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide has a molecular weight of 429.53 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 138673917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).