N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide

C19H20N4O2S — CID 91640375

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESO=C(CC1(n2cccc2)CCOCC1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H20N4O2S/c24-17(13-19(6-11-25-12-7-19)23-9-3-4-10-23)22-18-21-16(14-26-18)15-5-1-2-8-20-15/h1-5,8-10,14H,6-7,11-13H2,(H,21,22,24)
InChIKeyJHRKZKNRKVMQCB-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.54
Rot. Bonds5

About N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide (PubChem CID 91640375) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
PubChem CID91640375
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESO=C(CC1(n2cccc2)CCOCC1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H20N4O2S/c24-17(13-19(6-11-25-12-7-19)23-9-3-4-10-23)22-18-21-16(14-26-18)15-5-1-2-8-20-15/h1-5,8-10,14H,6-7,11-13H2,(H,21,22,24)
InChIKeyJHRKZKNRKVMQCB-UHFFFAOYSA-N
XLogP3.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide (CID 91640375) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide is O=C(CC1(n2cccc2)CCOCC1)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The InChIKey is JHRKZKNRKVMQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-17(13-19(6-11-25-12-7-19)23-9-3-4-10-23)22-18-21-16(14-26-18)15-5-1-2-8-20-15/h1-5,8-10,14H,6-7,11-13H2,(H,21,22,24).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide is sourced from PubChem (CID 91640375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).