(2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide

C17H15N5O2S — CID 87406347

IUPAC(2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide
SMILESNC(=O)[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1
InChIInChI=1S/C17H15N5O2S/c18-15(23)14(12-4-2-1-3-5-12)21-16(24)22-17-20-13(10-25-17)11-6-8-19-9-7-11/h1-10,14H,(H2,18,23)(H2,20,21,22,24)/t14-/m0/s1
InChIKeyLIJVDSICFNWJFS-AWEZNQCLSA-N
MW353.41 g/mol
LogP2.55
Rot. Bonds5

About (2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide

(2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide (PubChem CID 87406347) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide
PubChem CID87406347
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name(2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide
SMILESNC(=O)[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1
InChIInChI=1S/C17H15N5O2S/c18-15(23)14(12-4-2-1-3-5-12)21-16(24)22-17-20-13(10-25-17)11-6-8-19-9-7-11/h1-10,14H,(H2,18,23)(H2,20,21,22,24)/t14-/m0/s1
InChIKeyLIJVDSICFNWJFS-AWEZNQCLSA-N
XLogP2.55
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide?
The IUPAC name of (2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide (CID 87406347) is (2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide is NC(=O)[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide?
The InChIKey is LIJVDSICFNWJFS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15N5O2S/c18-15(23)14(12-4-2-1-3-5-12)21-16(24)22-17-20-13(10-25-17)11-6-8-19-9-7-11/h1-10,14H,(H2,18,23)(H2,20,21,22,24)/t14-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide?
(2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide has a molecular weight of 353.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]acetamide is sourced from PubChem (CID 87406347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).