N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide

C20H27N3OS — CID 177493595

IUPACN-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1nc(/C=C/c2ccccc2)sc1NC(C)(C)C
InChIInChI=1S/C20H27N3OS/c1-19(2,3)22-17(24)16-18(23-20(4,5)6)25-15(21-16)13-12-14-10-8-7-9-11-14/h7-13,23H,1-6H3,(H,22,24)/b13-12+
InChIKeyLXYWLQVTPRLGND-OUKQBFOZSA-N
MW357.52 g/mol
LogP5.05
Rot. Bonds4

About N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide

N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide (PubChem CID 177493595) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide
PubChem CID177493595
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1nc(/C=C/c2ccccc2)sc1NC(C)(C)C
InChIInChI=1S/C20H27N3OS/c1-19(2,3)22-17(24)16-18(23-20(4,5)6)25-15(21-16)13-12-14-10-8-7-9-11-14/h7-13,23H,1-6H3,(H,22,24)/b13-12+
InChIKeyLXYWLQVTPRLGND-OUKQBFOZSA-N
XLogP5.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide (CID 177493595) is N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide is CC(C)(C)NC(=O)c1nc(/C=C/c2ccccc2)sc1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LXYWLQVTPRLGND-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-19(2,3)22-17(24)16-18(23-20(4,5)6)25-15(21-16)13-12-14-10-8-7-9-11-14/h7-13,23H,1-6H3,(H,22,24)/b13-12+.
What are the key properties of N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide?
N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 177493595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).