N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide

C15H18N2OS — CID 56972553

IUPACN-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1c(C(C)C)s/c(=N/C(=O)c2ccccc2)n1C
InChIInChI=1S/C15H18N2OS/c1-10(2)13-11(3)17(4)15(19-13)16-14(18)12-8-6-5-7-9-12/h5-10H,1-4H3/b16-15+
InChIKeyYKKQZTZXABSMFZ-FOCLMDBBSA-N
MW274.39 g/mol
LogP3.26
Rot. Bonds2

About N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide

N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 56972553) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide
PubChem CID56972553
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1c(C(C)C)s/c(=N/C(=O)c2ccccc2)n1C
InChIInChI=1S/C15H18N2OS/c1-10(2)13-11(3)17(4)15(19-13)16-14(18)12-8-6-5-7-9-12/h5-10H,1-4H3/b16-15+
InChIKeyYKKQZTZXABSMFZ-FOCLMDBBSA-N
XLogP3.26
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide (CID 56972553) is N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide is Cc1c(C(C)C)s/c(=N/C(=O)c2ccccc2)n1C.
What is the InChIKey of N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is YKKQZTZXABSMFZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10(2)13-11(3)17(4)15(19-13)16-14(18)12-8-6-5-7-9-12/h5-10H,1-4H3/b16-15+.
What are the key properties of N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide?
N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 274.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 56972553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).