N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide

C17H28N2OS — CID 59865886

IUPACN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)C(C)(C)C)n1CC1CC1
InChIInChI=1S/C17H28N2OS/c1-11-13(16(2,3)4)21-15(18-14(20)17(5,6)7)19(11)10-12-8-9-12/h12H,8-10H2,1-7H3/b18-15-
InChIKeyNSDIUTDQHCAOFY-SDXDJHTJSA-N
MW308.49 g/mol
LogP4.04
Rot. Bonds2

About N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide (PubChem CID 59865886) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide
PubChem CID59865886
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)C(C)(C)C)n1CC1CC1
InChIInChI=1S/C17H28N2OS/c1-11-13(16(2,3)4)21-15(18-14(20)17(5,6)7)19(11)10-12-8-9-12/h12H,8-10H2,1-7H3/b18-15-
InChIKeyNSDIUTDQHCAOFY-SDXDJHTJSA-N
XLogP4.04
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide (CID 59865886) is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide is Cc1c(C(C)(C)C)s/c(=N\C(=O)C(C)(C)C)n1CC1CC1.
What is the InChIKey of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide?
The InChIKey is NSDIUTDQHCAOFY-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-11-13(16(2,3)4)21-15(18-14(20)17(5,6)7)19(11)10-12-8-9-12/h12H,8-10H2,1-7H3/b18-15-.
What are the key properties of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide?
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide has a molecular weight of 308.49 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide is sourced from PubChem (CID 59865886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).