N-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide

C14H14N2O2S — CID 88871423

IUPACN-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide
SMILESCOc1ccccc1C1(c2cnc(NC=O)s2)CC1
InChIInChI=1S/C14H14N2O2S/c1-18-11-5-3-2-4-10(11)14(6-7-14)12-8-15-13(19-12)16-9-17/h2-5,8-9H,6-7H2,1H3,(H,15,16,17)
InChIKeyVRZLDIMKFLSCLG-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.80
Rot. Bonds5

About N-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide

N-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide (PubChem CID 88871423) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide
PubChem CID88871423
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide
SMILESCOc1ccccc1C1(c2cnc(NC=O)s2)CC1
InChIInChI=1S/C14H14N2O2S/c1-18-11-5-3-2-4-10(11)14(6-7-14)12-8-15-13(19-12)16-9-17/h2-5,8-9H,6-7H2,1H3,(H,15,16,17)
InChIKeyVRZLDIMKFLSCLG-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.80
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-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide (CID 88871423) is N-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide is COc1ccccc1C1(c2cnc(NC=O)s2)CC1.
What is the InChIKey of N-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide?
The InChIKey is VRZLDIMKFLSCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-11-5-3-2-4-10(11)14(6-7-14)12-8-15-13(19-12)16-9-17/h2-5,8-9H,6-7H2,1H3,(H,15,16,17).
What are the key properties of N-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide?
N-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide has a molecular weight of 274.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-methoxyphenyl)cyclopropyl]-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 88871423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).