N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide

C13H22N4OS — CID 43695419

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)C1CSCN1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)11(6-17-5-4-14-8-17)16-12(18)10-7-19-9-15-10/h4-5,8,10-11,15H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyWPUPKYUGKUMLJZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.08
Rot. Bonds4

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43695419) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID43695419
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)C1CSCN1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)11(6-17-5-4-14-8-17)16-12(18)10-7-19-9-15-10/h4-5,8,10-11,15H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyWPUPKYUGKUMLJZ-UHFFFAOYSA-N
XLogP1.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide
CID 43695422
(1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 166316616
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)oxolane-3-carboxamide
CID 66240017
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 104828221
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119958433
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 43695426
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (CID 43695419) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)C(Cn1ccnc1)NC(=O)C1CSCN1.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is WPUPKYUGKUMLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-13(2,3)11(6-17-5-4-14-8-17)16-12(18)10-7-19-9-15-10/h4-5,8,10-11,15H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43695419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).