N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide

C15H18N2OS — CID 174704044

IUPACN-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide
SMILESCC(C)(C)c1nc(NC=O)sc1Cc1ccccc1
InChIInChI=1S/C15H18N2OS/c1-15(2,3)13-12(19-14(17-13)16-10-18)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyQHGZRCRNQDLOIG-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.60
Rot. Bonds4

About N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide

N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide (PubChem CID 174704044) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide.

Molecular Properties

Compound NameN-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide
PubChem CID174704044
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide
SMILESCC(C)(C)c1nc(NC=O)sc1Cc1ccccc1
InChIInChI=1S/C15H18N2OS/c1-15(2,3)13-12(19-14(17-13)16-10-18)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyQHGZRCRNQDLOIG-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide?
The IUPAC name of N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide (CID 174704044) is N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide.
What is the SMILES notation for N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide?
The canonical SMILES for N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide is CC(C)(C)c1nc(NC=O)sc1Cc1ccccc1.
What is the InChIKey of N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide?
The InChIKey is QHGZRCRNQDLOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(2,3)13-12(19-14(17-13)16-10-18)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,17,18).
What are the key properties of N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide?
N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide has a molecular weight of 274.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 174704044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).