2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide

C19H19N5O3S — CID 18567649

IUPAC2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)NCc2ccccn2)cs1
InChIInChI=1S/C19H19N5O3S/c1-27-16-8-3-2-7-15(16)23-18(26)24-19-22-14(12-28-19)10-17(25)21-11-13-6-4-5-9-20-13/h2-9,12H,10-11H2,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyHZIDDSNTKWMXGQ-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.05
Rot. Bonds7

About 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 18567649) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID18567649
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)NCc2ccccn2)cs1
InChIInChI=1S/C19H19N5O3S/c1-27-16-8-3-2-7-15(16)23-18(26)24-19-22-14(12-28-19)10-17(25)21-11-13-6-4-5-9-20-13/h2-9,12H,10-11H2,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyHZIDDSNTKWMXGQ-UHFFFAOYSA-N
XLogP3.05
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 18567649) is 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide is COc1ccccc1NC(=O)Nc1nc(CC(=O)NCc2ccccn2)cs1.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is HZIDDSNTKWMXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-27-16-8-3-2-7-15(16)23-18(26)24-19-22-14(12-28-19)10-17(25)21-11-13-6-4-5-9-20-13/h2-9,12H,10-11H2,1H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 397.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 18567649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).