N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide

C14H15N3OS — CID 162743697

IUPACN-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide
SMILESO=CNc1nc(C2CCCN2c2ccccc2)cs1
InChIInChI=1S/C14H15N3OS/c18-10-15-14-16-12(9-19-14)13-7-4-8-17(13)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,15,16,18)
InChIKeyOFUCBMYZYGOSJP-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.05
Rot. Bonds4

About N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide

N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide (PubChem CID 162743697) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide
PubChem CID162743697
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide
SMILESO=CNc1nc(C2CCCN2c2ccccc2)cs1
InChIInChI=1S/C14H15N3OS/c18-10-15-14-16-12(9-19-14)13-7-4-8-17(13)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,15,16,18)
InChIKeyOFUCBMYZYGOSJP-UHFFFAOYSA-N
XLogP3.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide (CID 162743697) is N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide is O=CNc1nc(C2CCCN2c2ccccc2)cs1.
What is the InChIKey of N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide?
The InChIKey is OFUCBMYZYGOSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-10-15-14-16-12(9-19-14)13-7-4-8-17(13)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,15,16,18).
What are the key properties of N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide?
N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide has a molecular weight of 273.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 162743697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).