N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide

C12H18N2OS — CID 3432597

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C12H18N2OS/c1-12(2,3)7-10(15)14-11-13-8-5-4-6-9(8)16-11/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyCFYZGFBLWWVICQ-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.01
Rot. Bonds2

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide (PubChem CID 3432597) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide
PubChem CID3432597
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C12H18N2OS/c1-12(2,3)7-10(15)14-11-13-8-5-4-6-9(8)16-11/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyCFYZGFBLWWVICQ-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide (CID 3432597) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide?
The InChIKey is CFYZGFBLWWVICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-12(2,3)7-10(15)14-11-13-8-5-4-6-9(8)16-11/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide has a molecular weight of 238.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 3432597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).